A0A077YZD9_TRITR Loading...

Beta 1,4 galactosyltransferase 3

AlphaFold DB , UniProt , Accession A0A077YZD9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51Low85.4Confident230 Ų23085.8 Ų85.8100%1.13347%0.468SS*.  0136.60-83177.2-134.500108.1
2V61.8Low86.3Confident32 Ų3278.7 Ų78.719%0.19443%0.429CS..PPolyproline II helixtrans-66.1135.3164.6-173.20000106.6L4 H39 L233V2-L4 PolarHBondContact O-N 3.22Å; V2-H39 VanDerWaalsContact CA-CE1 3.47Å; V2-H39 WeakPolarHBondContact CA-CE1 3.49Å; V2-H39 HydrophobicContact CG2-CB 4.29Å; V2-H39 WeakPolarHBondContact CG2-ND1 3.45Å; V2-H39 PolarHBondContact N-CE1 3.07Å; V2-L233 HydrophobicContact CB-CD1 3.46Å; V2-L233 VanDerWaalsContact CB-CD1 3.46Å; V2-L233 HydrophobicContact CG1-CD1 3.4Å; V2-L233 VanDerWaalsContact CG1-CD1 3.4Å; V2-L233 HydrophobicContact CG2-CD1 3.9Å
3A74.1Confident87.2Confident76 Ų7673.8 Ų73.863%0.62840%0.402SS*.PPolyproline II helixtrans-60.6136.6173.800000109.6M5A3-M5 PolarHBondContact O-N 3.46Å
4L84.9Confident88Confident132 Ų13269.1 Ų69.169%0.69138%0.377SS*.PPolyproline II helixtrans-59.5137.1170.6-68.3173.1000109V2 P6 P232V2-L4 PolarHBondContact O-N 3.22Å; L4-P6 WeakPolarHBondContact O-CD 3.43Å; L4-P232 HydrophobicContact CD2-CB 3.59Å; L4-P232 HydrophobicContact CD2-CG 3.97Å
5M93.9Very high88.6Confident22 Ų2267.7 Ų67.711%0.10837%0.371CS..  trans-104.3103.4176.6-66.8-178.1-169.600107.8A3 W7 L8 H46 P47 L233A3-M5 PolarHBondContact O-N 3.46Å; M5-W7 HydrophobicContact CB-CD2 4.14Å; M5-W7 HydrophobicContact CB-CE3 4.31Å; M5-W7 HydrophobicContact CB-CH2 3.87Å; M5-W7 HydrophobicContact CB-CZ2 3.67Å; M5-W7 HydrophobicContact CB-CZ3 4.19Å; M5-W7 HydrophobicContact CG-CH2 3.76Å; M5-W7 HydrophobicContact CG-CZ2 3.67Å; M5-W7 HydrophobicContact CG-CZ3 4.46Å; M5-W7 PolarHBondContact O-N 3.47Å; M5-W7 HydrophobicContact SD-CH2 4.14Å; M5-W7 HydrophobicContact SD-CZ2 3.54Å; M5-W7 VanDerWaalsContact SD-CZ2 3.54Å; M5-L8 HydrophobicContact CB-CD1 3.66Å; M5-L8 HydrophobicContact CB-CG 3.74Å; M5-L8 HydrophobicContact CG-CD1 4.31Å; M5-L8 WeakPolarHBondContact O-CB 3.41Å; M5-L8 PolarHBondContact O-N 3.29Å; M5-L8 HydrophobicContact SD-CD1 3.97Å; M5-H46 HydrophobicContact CE-CB 3.91Å; M5-H46 HydrophobicContact SD-CB 3.31Å; M5-H46 WeakPolarHBondContact SD-CB 3.37Å; M5-P47 HydrophobicContact CE-CG 4.46Å; M5-L233 HydrophobicContact CB-CD2 4.45Å; M5-L233 HydrophobicContact CG-CD2 4.35Å
6P93.7Very high89.1Confident120 Ų12064.5 Ų64.578%0.77936%0.355SS*.THydrogen-bonded Turntrans-66.5-15-167.625.6-35.5000114.2L4 L8L4-P6 WeakPolarHBondContact O-CD 3.43Å; P6-L8 VanDerWaalsContact C-N 3.3Å
7W95.1Very high89.3Confident118 Ų11870.7 Ų70.745%0.44738%0.381SS..THydrogen-bonded Turntrans-82.6-5.6174.863.386000113.4M5 N14M5-W7 HydrophobicContact CB-CD2 4.14Å; M5-W7 HydrophobicContact CB-CE3 4.31Å; M5-W7 HydrophobicContact CB-CH2 3.87Å; M5-W7 HydrophobicContact CB-CZ2 3.67Å; M5-W7 HydrophobicContact CB-CZ3 4.19Å; M5-W7 HydrophobicContact CG-CH2 3.76Å; M5-W7 HydrophobicContact CG-CZ2 3.67Å; M5-W7 HydrophobicContact CG-CZ3 4.46Å; M5-W7 PolarHBondContact O-N 3.47Å; M5-W7 HydrophobicContact SD-CH2 4.14Å; M5-W7 HydrophobicContact SD-CZ2 3.54Å; M5-W7 VanDerWaalsContact SD-CZ2 3.54Å; W7-N14 PolarHBondContact O-OD1 3.35Å
8L97.4Very high89.5Confident22 Ų2271.8 Ų71.812%0.11541%0.412CS..PPolyproline II helixtrans-90.3138.8177.7-59.5-176.9000111.5M5 P6 N14 H46 L233M5-L8 HydrophobicContact CB-CD1 3.66Å; M5-L8 HydrophobicContact CB-CG 3.74Å; M5-L8 HydrophobicContact CG-CD1 4.31Å; M5-L8 WeakPolarHBondContact O-CB 3.41Å; M5-L8 PolarHBondContact O-N 3.29Å; M5-L8 HydrophobicContact SD-CD1 3.97Å; P6-L8 VanDerWaalsContact C-N 3.3Å; L8-N14 HydrophobicContact CD2-CB 3.73Å; L8-H46 VanDerWaalsContact CD1-CE1 3.5Å; L8-H46 WeakPolarHBondContact CD1-CE1 3.44Å; L8-L233 HydrophobicContact CD1-CD2 3.71Å
9Q96.9Very high89.7Confident105 Ų10570.6 Ų70.649%0.49141%0.407SS..BIsolated β-bridgetrans-82.4159.9163.8-62.8175.3-21.500109.8G11 G12 I13Q9-G11 PolarHBondContact O-N 3.11Å; Q9-G12 PolarHBondContact O-N 3.44Å; Q9-G12 VanDerWaalsContact O-N 3.11Å; Q9-I13 HydrophobicContact CB-CB 4.26Å; Q9-I13 PolarHBondContact N-O 2.97Å; Q9-I13 PolarHBondContact O-N 2.73Å
10P96.1Very high89.9Confident87 Ų8775.7 Ų75.757%0.56543%0.427SS*.THydrogen-bonded Turntrans-48.9141.4170.8-27.135.2000112M230P10-M230 HydrophobicContact CB-CB 4.17Å; P10-M230 WeakPolarHBondContact O-CE 3.27Å
11G94.4Very high90.3Very high0 Ų073.4 Ų73.40%042%0.415CS..THydrogen-bonded Turntrans87.16.7-168.900000114.2Q9 I13 T231 Y234 V235Q9-G11 PolarHBondContact O-N 3.11Å; G11-I13 PolarHBondContact O-N 2.82Å; G11-T231 WeakPolarHBondContact CA-O 3.35Å; G11-T231 PolarHBondContact N-O 3.49Å; G11-Y234 VanDerWaalsContact C-C 3.42Å; G11-Y234 VanDerWaalsContact C-CA 3.46Å; G11-Y234 CarbonylContact O-C 3.48Å; G11-Y234 VanDerWaalsContact O-CA 3.24Å; G11-Y234 WeakPolarHBondContact O-CA 3.16Å; G11-V235 PolarHBondContact O-N 3.03Å
12G96.4Very high92.3Very high0 Ų066.2 Ų66.20%039%0.388CS..THydrogen-bonded Turntrans6624.9-174.600000113.1Q9 L233Q9-G12 PolarHBondContact O-N 3.44Å; Q9-G12 VanDerWaalsContact O-N 3.11Å; G12-L233 VanDerWaalsContact CA-O 3.26Å; G12-L233 WeakPolarHBondContact CA-O 3.33Å
13I98.1Very high94Very high15 Ų1565.9 Ų65.98%0.07739%0.385CS..BIsolated β-bridgetrans-83.4133.7-175-65.2171.4000108.6Q9 G11 Y56 I85 M230Q9-I13 HydrophobicContact CB-CB 4.26Å; Q9-I13 PolarHBondContact N-O 2.97Å; Q9-I13 PolarHBondContact O-N 2.73Å; G11-I13 PolarHBondContact O-N 2.82Å; I13-Y56 VanDerWaalsContact CA-O 3.27Å; I13-Y56 WeakPolarHBondContact CA-O 3.29Å; I13-I85 HydrophobicContact CD1-CG2 4.28Å; I13-M230 HydrophobicContact CD1-CE 3.99Å
14N97.9Very high95.1Very high9 Ų964.9 Ų64.95%0.04837%0.367CS..BIsolated β-bridgetrans-131.4132.2175.8179.757.6000110.3W7 L8 T50 H55 Y56W7-N14 PolarHBondContact O-OD1 3.35Å; L8-N14 HydrophobicContact CD2-CB 3.73Å; N14-T50 PolarHBondContact ND2-OG1 3.21Å; N14-H55 CarbonylContact O-C 3.6Å; N14-H55 VanDerWaalsContact O-CA 3.29Å; N14-H55 WeakPolarHBondContact O-CA 3.34Å; N14-H55 PolarHBondContact O-CD2 3.21Å; N14-Y56 HydrophobicContact CB-CD1 4.01Å; N14-Y56 HydrophobicContact CB-CE1 3.47Å; N14-Y56 VanDerWaalsContact CB-CE1 3.47Å; N14-Y56 HydrophobicContact CB-CE2 4.28Å; N14-Y56 PolarHBondContact N-O 3.39Å; N14-Y56 PolarHBondContact O-N 3.46Å
15T97.5Very high95.8Very high47 Ų4758.6 Ų58.629%0.28833%0.334SS..  trans-117.2128.3171.1-59.90000108.8Q17 H55T15-Q17 PolarHBondContact O-N 3.11Å; T15-Q17 PolarHBondContact O-NE2 2.99Å; T15-H55 PolarHBondContact OG1-CD2 2.76Å
16P96.2Very high96Very high17 Ų1757.6 Ų57.611%0.1133%0.329CS..  trans-57137.2177.8-2233.4000111.3P21 R53 L54P16-P21 HydrophobicContact CG-CB 4.14Å; P16-R53 HydrophobicContact CB-CB 4.36Å; P16-R53 HydrophobicContact CG-CB 4.17Å; P16-R53 VanDerWaalsContact CG-O 3.27Å; P16-R53 WeakPolarHBondContact CG-O 3.47Å; P16-L54 WeakPolarHBondContact CD-O 3.43Å; P16-L54 WeakPolarHBondContact CG-O 3.27Å
17Q92.5Very high96.3Very high170 Ų17051.9 Ų51.979%0.79429%0.292SS*.SBendtrans-91.1140.1176.7-60.5-59.9-46.500110.2T15 C19T15-Q17 PolarHBondContact O-N 3.11Å; T15-Q17 PolarHBondContact O-NE2 2.99Å; Q17-C19 VanDerWaalsContact C-N 3.27Å; Q17-C19 PolarHBondContact O-N 3.42Å
18G93.4Very high96.5Very high91 Ų9146.2 Ų46.294%0.93827%0.271SS*.SBendtrans74.64.6174.400000116.1
19C92.6Very high96.5Very high49 Ų4945.2 Ų45.233%0.33127%0.265SS..SBendtrans-150.1162.5173.667.60000111.9Q17Q17-C19 VanDerWaalsContact C-N 3.27Å; Q17-C19 PolarHBondContact O-N 3.42Å
20Q94.7Very high96.6Very high172 Ų17240.5 Ų40.580%0.80424%0.244SC*.  trans-70.5139.7169.1-65.5-59.2-38.400110.1
21P96.7Very high96.7Very high28 Ų2837 Ų3718%0.18222%0.219CC..  trans-64.9144.2175.127-33.1000111P16 D23 H24 R53 H55P16-P21 HydrophobicContact CG-CB 4.14Å; P21-D23 VanDerWaalsContact C-N 3.34Å; P21-H24 VanDerWaalsContact CG-CE1 3.45Å; P21-H24 WeakPolarHBondContact CG-CE1 3.45Å; P21-R53 WeakPolarHBondContact CA-O 3.33Å; P21-H55 HydrophobicContact CB-CB 3.63Å; P21-H55 HydrophobicContact CG-CB 3.94Å
22S93.5Very high96.7Very high79 Ų7938 Ų3855%0.55222%0.223SC*.SBendtrans-72.9-26.3179.155.50000113.4Q52 R53 L54S22-Q52 PolarHBondContact OG-O 3.3Å; S22-R53 PolarHBondContact N-O 3.39Å; S22-R53 PolarHBondContact OG-O 2.81Å; S22-L54 WeakPolarHBondContact OG-CD2 3.46Å
23D97.1Very high96.5Very high24 Ų2444.4 Ų44.413%0.12826%0.258CS..  trans-160.5164.9173-155.6-13.5000109.1P21 V25 L54 H55 S89 C90 C109P21-D23 VanDerWaalsContact C-N 3.34Å; D23-V25 HydrophobicContact CB-CG2 3.95Å; D23-L54 HydrophobicContact CB-CD2 3.96Å; D23-H55 PolarHBondContact O-N 3.15Å; D23-H55 VanDerWaalsContact O-N 3.1Å; D23-S89 PolarHBondContact OD1-OG 3.16Å; D23-C90 VanDerWaalsContact OD2-CB 3.26Å; D23-C90 WeakPolarHBondContact OD2-CB 3.15Å; D23-C109 PolarHBondContact OD2-N 3.4Å
24H98.6Very high96.2Very high56 Ų5644.9 Ų44.926%0.25926%0.258SS..EExtended strand (participates in β ladder)trans-109.7105.5172.4-55.4-67.2000109.9P21 H55 Y86 W88 S89 C90P21-H24 VanDerWaalsContact CG-CE1 3.45Å; P21-H24 WeakPolarHBondContact CG-CE1 3.45Å; H24-H55 CarbonylContact C-O 3.6Å; H24-H55 WeakPolarHBondContact CA-O 3.4Å; H24-H55 AromaticContact CE1-ND1 3.9Å; H24-H55 AromaticContact CG-ND1 3.9Å; H24-H55 WeakPolarHBondContact ND1-CB 3.28Å; H24-H55 AromaticContact ND1-CG 3.59Å; H24-H55 AromaticContact ND1-ND1 3.04Å; H24-H55 PolarHBondContact ND1-ND1 3.28Å; H24-Y86 HydrophobicContact CB-CE1 3.89Å; H24-Y86 PolarHBondContact CE1-OH 2.89Å; H24-Y86 AromaticContact CG-CE1 3.85Å; H24-Y86 AromaticContact ND1-CE1 3.98Å; H24-W88 HydrophobicContact CB-CE3 4.19Å; H24-S89 PolarHBondContact N-OG 2.97Å; H24-S89 PolarHBondContact O-N 3.04Å; H24-S89 VanDerWaalsContact O-N 3.13Å; H24-S89 PolarHBondContact O-OG 3.03Å; H24-C90 PolarHBondContact O-N 3.37Å
25V98.8Very high96.1Very high0 Ų049.7 Ų49.70%029%0.288CS..EExtended strand (participates in β ladder)trans-115.8120.3-164-173.50000112.3D23 V27 L54 H55 Y56 G57 W88 C90 V92 Y107D23-V25 HydrophobicContact CB-CG2 3.95Å; V25-V27 HydrophobicContact CG1-CG2 4.13Å; V25-L54 HydrophobicContact CG2-CB 4.5Å; V25-L54 HydrophobicContact CG2-CD1 4.27Å; V25-L54 HydrophobicContact CG2-CD2 3.88Å; V25-L54 HydrophobicContact CG2-CG 4.44Å; V25-H55 PolarHBondContact N-O 3.06Å; V25-Y56 CarbonylContact O-C 3.55Å; V25-Y56 WeakPolarHBondContact O-CA 3.39Å; V25-Y56 WeakPolarHBondContact O-CB 3.29Å; V25-G57 PolarHBondContact O-N 2.85Å; V25-W88 VanDerWaalsContact C-CE3 3.49Å; V25-C90 WeakPolarHBondContact CA-O 3.27Å; V25-C90 HydrophobicContact CG2-CB 4.07Å; V25-V92 HydrophobicContact CG1-CB 4.36Å; V25-V92 HydrophobicContact CG1-CG2 3.63Å; V25-Y107 WeakPolarHBondContact CG2-O 3.27Å
26A98.9Very high96Very high0 Ų051 Ų510%030%0.299CS..EExtended strand (participates in β ladder)trans-92.4119163.200000109.8I28 F59 A82 W88 C90 F91 V92A26-I28 HydrophobicContact CB-CD1 4.03Å; A26-F59 HydrophobicContact CB-CD2 4.1Å; A26-F59 HydrophobicContact CB-CE2 3.84Å; A26-A82 HydrophobicContact CB-CB 3.94Å; A26-W88 HydrophobicContact CB-CB 4.08Å; A26-W88 HydrophobicContact CB-CD2 3.88Å; A26-W88 HydrophobicContact CB-CG 3.66Å; A26-C90 PolarHBondContact N-O 3.29Å; A26-F91 HydrophobicContact CB-CD1 3.77Å; A26-F91 HydrophobicContact CB-CE1 3.8Å; A26-F91 WeakPolarHBondContact O-CA 3.47Å; A26-V92 PolarHBondContact O-N 3.39Å
27V98.9Very high96Very high0 Ų050.8 Ų50.80%030%0.296CS..EExtended strand (participates in β ladder)trans-93.7110.7172.7-175.90000108.5V25 V29 F41 L49 G57 I58 F59 V92 H94V25-V27 HydrophobicContact CG1-CG2 4.13Å; V27-V29 HydrophobicContact CG1-CG2 4.11Å; V27-F41 HydrophobicContact CG1-CZ 4.5Å; V27-L49 HydrophobicContact CG2-CD1 3.92Å; V27-G57 PolarHBondContact N-O 2.72Å; V27-I58 HydrophobicContact CB-CG1 4.34Å; V27-F59 PolarHBondContact O-N 2.86Å; V27-V92 CarbonylContact C-O 3.52Å; V27-V92 WeakPolarHBondContact CA-O 3.42Å; V27-V92 HydrophobicContact CG1-CB 4.49Å; V27-V92 HydrophobicContact CG1-CG1 4.41Å; V27-V92 HydrophobicContact CG2-CB 4.22Å; V27-H94 HydrophobicContact CG1-CB 4.27Å
28I98.9Very high96.3Very high0 Ų043.2 Ų43.20%026%0.261CS..EExtended strand (participates in β ladder)trans-100.1122.3-177.7-48.7-53.7000109.4A26 F59 V61 M75 G78 A82 F91 V92 F93 H94A26-I28 HydrophobicContact CB-CD1 4.03Å; I28-F59 HydrophobicContact CD1-CB 3.72Å; I28-F59 HydrophobicContact CD1-CD2 3.82Å; I28-F59 HydrophobicContact CD1-CG 3.89Å; I28-V61 HydrophobicContact CG2-CG2 4.01Å; I28-M75 HydrophobicContact CB-SD 4.21Å; I28-M75 HydrophobicContact CG2-SD 3.9Å; I28-G78 WeakPolarHBondContact CD1-O 3.31Å; I28-A82 HydrophobicContact CD1-CB 3.95Å; I28-F91 HydrophobicContact CD1-CD1 4.49Å; I28-F91 HydrophobicContact CG1-CD1 4.26Å; I28-V92 PolarHBondContact N-O 3.21Å; I28-F93 HydrophobicContact CB-CD1 4.04Å; I28-F93 HydrophobicContact CB-CE1 4.41Å; I28-F93 HydrophobicContact CG1-CD1 4.3Å; I28-F93 HydrophobicContact CG1-CE1 4.21Å; I28-H94 PolarHBondContact O-N 3.05Å
29V98.9Very high96.4Very high0 Ų042.6 Ų42.60%023%0.234CC..EExtended strand (participates in β ladder)trans-126.9104.7-176.7-172.60000109.2V27 F41 I58 F59 I60 V61 H94 V96V27-V29 HydrophobicContact CG1-CG2 4.11Å; V29-F41 HydrophobicContact CG2-CE1 3.82Å; V29-F41 HydrophobicContact CG2-CZ 3.93Å; V29-I58 HydrophobicContact CG2-CG2 4.42Å; V29-F59 PolarHBondContact N-O 2.8Å; V29-I60 HydrophobicContact CB-CD1 3.66Å; V29-I60 HydrophobicContact CG1-CD1 4.11Å; V29-I60 HydrophobicContact CG2-CD1 3.98Å; V29-I60 WeakPolarHBondContact O-CA 3.42Å; V29-V61 PolarHBondContact O-N 2.87Å; V29-H94 HydrophobicContact CG2-CB 4.31Å; V29-V96 HydrophobicContact CG1-CB 3.74Å; V29-V96 HydrophobicContact CG1-CG2 4.18Å
30P98.4Very high96.7Very high7 Ų743.6 Ų43.65%0.04524%0.235CC..EExtended strand (participates in β ladder)trans-74133.2173.132.8-31.5000107.9V61 F69 R71 L74 M75 H94P30-V61 CarbonylContact C-O 3.58Å; P30-V61 WeakPolarHBondContact CA-O 3.33Å; P30-F69 HydrophobicContact CB-CE2 4.36Å; P30-F69 HydrophobicContact CB-CZ 3.73Å; P30-F69 HydrophobicContact CG-CZ 4.18Å; P30-R71 HydrophobicContact CG-CG 3.79Å; P30-L74 HydrophobicContact CB-CB 3.58Å; P30-L74 HydrophobicContact CB-CD1 3.91Å; P30-L74 HydrophobicContact CB-CG 4.41Å; P30-M75 WeakPolarHBondContact CD-SD 3.39Å; P30-M75 HydrophobicContact CG-CE 3.44Å; P30-M75 VanDerWaalsContact CG-CE 3.44Å; P30-M75 HydrophobicContact CG-CG 4.29Å; P30-M75 HydrophobicContact CG-SD 3.86Å; P30-H94 WeakPolarHBondContact CD-O 3.48Å
31Y97.3Very high96.8Very high12 Ų1235.4 Ų35.45%0.04720%0.197CC..  trans-144144.5-164.7173.5-85.9000111.4R34 V35 L38 I60 V61 E62 P63 V96Y31-R34 HydrophobicContact CD2-CB 3.89Å; Y31-R34 HydrophobicContact CE2-CB 3.37Å; Y31-R34 WeakPolarHBondContact CE2-O 3.48Å; Y31-R34 PolarHBondContact OH-N 2.8Å; Y31-V35 WeakPolarHBondContact OH-CA 3.5Å; Y31-V35 WeakPolarHBondContact OH-CG2 3.37Å; Y31-V35 PolarHBondContact OH-N 2.83Å; Y31-L38 HydrophobicContact CD2-CB 4.2Å; Y31-L38 HydrophobicContact CD2-CD2 4.33Å; Y31-L38 HydrophobicContact CE1-CD2 4.46Å; Y31-L38 HydrophobicContact CE2-CB 3.53Å; Y31-L38 HydrophobicContact CE2-CD2 3.85Å; Y31-L38 HydrophobicContact CE2-CG 4.2Å; Y31-I60 HydrophobicContact CD1-CG2 4Å; Y31-I60 HydrophobicContact CD2-CG2 4.45Å; Y31-I60 HydrophobicContact CG-CG2 3.74Å; Y31-V61 PolarHBondContact N-O 3.19Å; Y31-E62 HydrophobicContact CD1-CG 3.71Å; Y31-E62 VanDerWaalsContact CD1-OE2 3.27Å; Y31-E62 WeakPolarHBondContact CD1-OE2 3.41Å; Y31-E62 WeakPolarHBondContact CE1-OE2 3.47Å; Y31-E62 WeakPolarHBondContact O-CA 3.44Å; Y31-P63 WeakPolarHBondContact O-CD 3.37Å; Y31-V96 HydrophobicContact CD2-CB 4.48Å; Y31-V96 HydrophobicContact CD2-CG1 4.38Å; Y31-V96 HydrophobicContact CD2-CG2 4.15Å
32R94.9Very high96.9Very high23 Ų2334.2 Ų34.29%0.08719%0.189CC..SBendtrans-162.3136.5164.9-168.8-17657.6-149.9-19.9109.7R34 E67 F69 G195R32-R34 VanDerWaalsContact C-N 3.29Å; R32-R34 VanDerWaalsContact O-CG 3.23Å; R32-R34 WeakPolarHBondContact O-CG 3.33Å; R32-R34 PolarHBondContact O-N 3.34Å; R32-R34 VanDerWaalsContact O-N 3.17Å; R32-E67 PolarHBondContact NH1-O 2.88Å; R32-F69 HydrophobicContact CB-CD2 4.31Å; R32-F69 HydrophobicContact CB-CE2 4.34Å; R32-G195 PolarHBondContact NH1-O 3.46Å; R32-G195 VanDerWaalsContact NH1-O 3.08Å; R32-G195 PolarHBondContact NH2-O 2.94Å
33D91.8Very high97.1Very high134 Ų13432.8 Ų32.872%0.71718%0.179SC*.SBendtrans52.436.7169.8-57-34.2000115.8
34R93.4Very high97.1Very high25 Ų2534.9 Ų34.99%0.09419%0.188CC..  trans-126.736.8-171.2-79-74.1-171.7-161.6-0112.7Y31 R32 S36 H37 L38 V96 H190 K191 E193Y31-R34 HydrophobicContact CD2-CB 3.89Å; Y31-R34 HydrophobicContact CE2-CB 3.37Å; Y31-R34 WeakPolarHBondContact CE2-O 3.48Å; Y31-R34 PolarHBondContact OH-N 2.8Å; R32-R34 VanDerWaalsContact C-N 3.29Å; R32-R34 VanDerWaalsContact O-CG 3.23Å; R32-R34 WeakPolarHBondContact O-CG 3.33Å; R32-R34 PolarHBondContact O-N 3.34Å; R32-R34 VanDerWaalsContact O-N 3.17Å; R34-S36 VanDerWaalsContact C-N 3.35Å; R34-S36 PolarHBondContact O-N 3.08Å; R34-H37 HydrophobicContact CB-CB 4.22Å; R34-H37 PolarHBondContact NH1-CE1 3.01Å; R34-H37 VanDerWaalsContact NH1-CE1 3.26Å; R34-H37 WeakPolarHBondContact O-CA 3.44Å; R34-H37 WeakPolarHBondContact O-CB 3.26Å; R34-H37 PolarHBondContact O-N 3.21Å; R34-L38 PolarHBondContact O-N 2.96Å; R34-V96 HydrophobicContact CB-CG1 4.07Å; R34-V96 HydrophobicContact CG-CG1 4.28Å; R34-H190 VanDerWaalsContact CZ-CB 3.49Å; R34-H190 VanDerWaalsContact NH2-CB 3.33Å; R34-H190 PolarHBondContact NH2-CD2 3.35Å; R34-K191 PolarHBondContact NH2-O 3.45Å; R34-E193 IonicContact CZ-OE1 3.31Å; R34-E193 IonicContact NE-OE1 2.75Å; R34-E193 PolarHBondContact NE-OE1 3.04Å; R34-E193 IonicContact NH2-OE1 3.19Å; R34-E193 PolarHBondContact NH2-OE1 3.37Å; R34-E193 IonicContact NH2-OE2 3.86Å; R34-E193 PolarHBondContact NH2-OE2 2.64Å
35V94.5Very high97.1Very high109 Ų10932.2 Ų32.266%0.66118%0.175SC*.Hα-helixtrans-54-45.4-168.2-179.20000113.1Y31 H37 L38 H39Y31-V35 WeakPolarHBondContact OH-CA 3.5Å; Y31-V35 WeakPolarHBondContact OH-CG2 3.37Å; Y31-V35 PolarHBondContact OH-N 2.83Å; V35-H37 VanDerWaalsContact C-N 3.35Å; V35-H37 PolarHBondContact O-N 3.35Å; V35-L38 PolarHBondContact O-N 3.48Å; V35-H39 WeakPolarHBondContact O-CB 3.49Å; V35-H39 PolarHBondContact O-N 3.02Å
36S95.5Very high97.1Very high75 Ų7532.2 Ų32.252%0.52418%0.175SC..Hα-helixtrans-62.7-40.9176.853.10000112.6R34 H39 I40R34-S36 VanDerWaalsContact C-N 3.35Å; R34-S36 PolarHBondContact O-N 3.08Å; S36-H39 PolarHBondContact O-N 3.03Å; S36-I40 VanDerWaalsContact O-CG1 3.32Å; S36-I40 WeakPolarHBondContact O-CG1 3.39Å; S36-I40 PolarHBondContact O-N 3.15Å; S36-I40 VanDerWaalsContact O-N 3.15Å
37H97.5Very high97Very high12 Ų1234 Ų346%0.05619%0.187CC..Hα-helixtrans-67.3-45.2178.9-64.565.9000110.8R34 V35 H39 I40 F41 V96 I188 P189R34-H37 HydrophobicContact CB-CB 4.22Å; R34-H37 PolarHBondContact NH1-CE1 3.01Å; R34-H37 VanDerWaalsContact NH1-CE1 3.26Å; R34-H37 WeakPolarHBondContact O-CA 3.44Å; R34-H37 WeakPolarHBondContact O-CB 3.26Å; R34-H37 PolarHBondContact O-N 3.21Å; V35-H37 VanDerWaalsContact C-N 3.35Å; V35-H37 PolarHBondContact O-N 3.35Å; H37-H39 VanDerWaalsContact C-N 3.32Å; H37-H39 PolarHBondContact O-N 3.24Å; H37-I40 PolarHBondContact O-N 3.44Å; H37-F41 VanDerWaalsContact O-CB 3.25Å; H37-F41 WeakPolarHBondContact O-CB 3.24Å; H37-F41 PolarHBondContact O-N 3.14Å; H37-V96 HydrophobicContact CB-CG1 4.15Å; H37-V96 HydrophobicContact CB-CG2 4.41Å; H37-I188 VanDerWaalsContact CD2-CG2 3.48Å; H37-I188 WeakPolarHBondContact CD2-CG2 3.4Å; H37-I188 WeakPolarHBondContact NE2-CG2 3.49Å; H37-P189 PolarHBondContact NE2-O 3.25Å; H37-P189 VanDerWaalsContact NE2-O 3.14Å
38L97.6Very high96.9Very high11 Ų1134.1 Ų34.16%0.05819%0.188CC..Hα-helixtrans-60.6-41.4176.9179.963.2000112Y31 R34 V35 F41 L42 I60 V96 Y234Y31-L38 HydrophobicContact CD2-CB 4.2Å; Y31-L38 HydrophobicContact CD2-CD2 4.33Å; Y31-L38 HydrophobicContact CE1-CD2 4.46Å; Y31-L38 HydrophobicContact CE2-CB 3.53Å; Y31-L38 HydrophobicContact CE2-CD2 3.85Å; Y31-L38 HydrophobicContact CE2-CG 4.2Å; R34-L38 PolarHBondContact O-N 2.96Å; V35-L38 PolarHBondContact O-N 3.48Å; L38-F41 PolarHBondContact O-N 3.3Å; L38-L42 HydrophobicContact CD1-CD1 3.8Å; L38-L42 HydrophobicContact CD1-CD2 4.36Å; L38-L42 HydrophobicContact CD1-CG 3.87Å; L38-L42 HydrophobicContact CG-CD1 3.8Å; L38-L42 HydrophobicContact CG-CG 4.29Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 3.47Å; L38-I60 HydrophobicContact CD1-CD1 3.58Å; L38-I60 HydrophobicContact CD1-CG1 3.96Å; L38-I60 HydrophobicContact CD2-CG2 4.49Å; L38-V96 HydrophobicContact CB-CG2 4.04Å; L38-V96 HydrophobicContact CD1-CG2 4.1Å; L38-Y234 HydrophobicContact CD2-CE1 4.35Å
39H96.7Very high96.9Very high78 Ų7834.1 Ų34.136%0.36119%0.188SC..Hα-helixtrans-59.3-48175.6176.886.5000112.2V2 V35 S36 H37 S43V2-H39 VanDerWaalsContact CA-CE1 3.47Å; V2-H39 WeakPolarHBondContact CA-CE1 3.49Å; V2-H39 HydrophobicContact CG2-CB 4.29Å; V2-H39 WeakPolarHBondContact CG2-ND1 3.45Å; V2-H39 PolarHBondContact N-CE1 3.07Å; V35-H39 WeakPolarHBondContact O-CB 3.49Å; V35-H39 PolarHBondContact O-N 3.02Å; S36-H39 PolarHBondContact O-N 3.03Å; H37-H39 VanDerWaalsContact C-N 3.32Å; H37-H39 PolarHBondContact O-N 3.24Å; H39-S43 WeakPolarHBondContact O-CB 3.33Å; H39-S43 PolarHBondContact O-N 2.89Å; H39-S43 VanDerWaalsContact O-N 3.16Å; H39-S43 PolarHBondContact O-OG 2.99Å
40I97.5Very high96.8Very high70 Ų7036.1 Ų36.136%0.35920%0.2SC..Hα-helixtrans-65-45.8178.1-65.4165.2000110.3S36 H37 S43 H44 L99 I188S36-I40 VanDerWaalsContact O-CG1 3.32Å; S36-I40 WeakPolarHBondContact O-CG1 3.39Å; S36-I40 PolarHBondContact O-N 3.15Å; S36-I40 VanDerWaalsContact O-N 3.15Å; H37-I40 PolarHBondContact O-N 3.44Å; I40-S43 PolarHBondContact O-N 2.81Å; I40-H44 WeakPolarHBondContact O-CB 3.4Å; I40-H44 PolarHBondContact O-N 3.04Å; I40-L99 HydrophobicContact CG2-CD1 3.8Å; I40-I188 HydrophobicContact CB-CD1 3.82Å; I40-I188 HydrophobicContact CD1-CD1 4.29Å; I40-I188 HydrophobicContact CD1-CG2 4.23Å; I40-I188 HydrophobicContact CG2-CD1 3.56Å; I40-I188 HydrophobicContact CG2-CG1 4.36Å
41F98.4Very high96.7Very high0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-56.5-54.1179.2176.7-100.6000111.9V27 V29 H37 L38 S43 H44 I45 I58 H94 V96 L99V27-F41 HydrophobicContact CG1-CZ 4.5Å; V29-F41 HydrophobicContact CG2-CE1 3.82Å; V29-F41 HydrophobicContact CG2-CZ 3.93Å; H37-F41 VanDerWaalsContact O-CB 3.25Å; H37-F41 WeakPolarHBondContact O-CB 3.24Å; H37-F41 PolarHBondContact O-N 3.14Å; L38-F41 PolarHBondContact O-N 3.3Å; F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 3.26Å; F41-H44 PolarHBondContact O-N 3.1Å; F41-H44 VanDerWaalsContact O-N 3.15Å; F41-I45 HydrophobicContact CD1-CG2 4.09Å; F41-I45 HydrophobicContact CE1-CB 4.38Å; F41-I45 HydrophobicContact CE1-CG2 3.77Å; F41-I45 HydrophobicContact CE2-CB 4.17Å; F41-I45 HydrophobicContact CE2-CD1 4.29Å; F41-I45 HydrophobicContact CE2-CG1 4.1Å; F41-I45 HydrophobicContact CE2-CG2 4.44Å; F41-I45 HydrophobicContact CZ-CB 4.1Å; F41-I45 HydrophobicContact CZ-CG1 3.93Å; F41-I45 HydrophobicContact CZ-CG2 3.96Å; F41-I45 VanDerWaalsContact O-CB 3.31Å; F41-I45 WeakPolarHBondContact O-CB 3.14Å; F41-I45 VanDerWaalsContact O-CG2 3.27Å; F41-I45 WeakPolarHBondContact O-CG2 3.35Å; F41-I45 PolarHBondContact O-N 3.26Å; F41-I58 HydrophobicContact CE1-CG2 4.43Å; F41-H94 AromaticContact CE2-CE1 3.58Å; F41-H94 AromaticContact CE2-ND1 3.55Å; F41-V96 HydrophobicContact CB-CG2 4.05Å; F41-V96 WeakPolarHBondContact CB-O 3.44Å; F41-V96 HydrophobicContact CD1-CG2 4.44Å; F41-V96 HydrophobicContact CG-CG2 4.24Å; F41-L99 HydrophobicContact CD2-CD2 4.25Å
42L98.2Very high96.6Very high3 Ų342.6 Ų42.62%0.01622%0.224CC..Hα-helixtrans-61.5-41.7-179.7-67.7169.4000111.8L38 H44 H46 I58 L233 Y234L38-L42 HydrophobicContact CD1-CD1 3.8Å; L38-L42 HydrophobicContact CD1-CD2 4.36Å; L38-L42 HydrophobicContact CD1-CG 3.87Å; L38-L42 HydrophobicContact CG-CD1 3.8Å; L38-L42 HydrophobicContact CG-CG 4.29Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 3.47Å; L42-H44 PolarHBondContact O-N 3.44Å; L42-H46 PolarHBondContact O-CD2 3.12Å; L42-H46 PolarHBondContact O-N 2.86Å; L42-I58 HydrophobicContact CD2-CD1 4.16Å; L42-I58 HydrophobicContact CD2-CG2 4.3Å; L42-L233 HydrophobicContact CD1-CB 4.25Å; L42-L233 HydrophobicContact CD1-CD1 4.38Å; L42-Y234 HydrophobicContact CD1-CD1 3.44Å; L42-Y234 VanDerWaalsContact CD1-CD1 3.44Å; L42-Y234 HydrophobicContact CD1-CE1 3.53Å; L42-Y234 HydrophobicContact CD2-CD1 3.99Å; L42-Y234 HydrophobicContact CG-CD1 4.37Å
43S97.1Very high96.7Very high49 Ų4949 Ų4934%0.34325%0.248SC..Hα-helixtrans-62.1-32178.4-57.20000112.5H39 I40 F41 P47H39-S43 WeakPolarHBondContact O-CB 3.33Å; H39-S43 PolarHBondContact O-N 2.89Å; H39-S43 VanDerWaalsContact O-N 3.16Å; H39-S43 PolarHBondContact O-OG 2.99Å; I40-S43 PolarHBondContact O-N 2.81Å; F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 3.26Å; S43-P47 WeakPolarHBondContact O-CD 3.44Å
44H97.7Very high97Very high68 Ų6842.6 Ų42.632%0.31521%0.214SC..Hα-helixtrans-87.2-46-179.6-171.988000112.9I40 F41 L42 F48 L99 P100I40-H44 WeakPolarHBondContact O-CB 3.4Å; I40-H44 PolarHBondContact O-N 3.04Å; F41-H44 PolarHBondContact O-N 3.1Å; F41-H44 VanDerWaalsContact O-N 3.15Å; L42-H44 PolarHBondContact O-N 3.44Å; H44-F48 WeakPolarHBondContact O-CB 3.46Å; H44-F48 PolarHBondContact O-N 3.38Å; H44-L99 HydrophobicContact CB-CD2 3.89Å; H44-P100 PolarHBondContact CE1-O 2.97Å; H44-P100 PolarHBondContact NE2-O 3.37Å
45I98.3Very high97.2Very high0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-76.9-35.3-165.5-157.667.6000112.6F41 F48 L49 I58 P100 Y107F41-I45 HydrophobicContact CD1-CG2 4.09Å; F41-I45 HydrophobicContact CE1-CB 4.38Å; F41-I45 HydrophobicContact CE1-CG2 3.77Å; F41-I45 HydrophobicContact CE2-CB 4.17Å; F41-I45 HydrophobicContact CE2-CD1 4.29Å; F41-I45 HydrophobicContact CE2-CG1 4.1Å; F41-I45 HydrophobicContact CE2-CG2 4.44Å; F41-I45 HydrophobicContact CZ-CB 4.1Å; F41-I45 HydrophobicContact CZ-CG1 3.93Å; F41-I45 HydrophobicContact CZ-CG2 3.96Å; F41-I45 VanDerWaalsContact O-CB 3.31Å; F41-I45 WeakPolarHBondContact O-CB 3.14Å; F41-I45 VanDerWaalsContact O-CG2 3.27Å; F41-I45 WeakPolarHBondContact O-CG2 3.35Å; F41-I45 PolarHBondContact O-N 3.26Å; I45-F48 HydrophobicContact CD1-CD1 3.77Å; I45-F48 HydrophobicContact CD1-CE1 4.25Å; I45-F48 WeakPolarHBondContact O-CB 3.27Å; I45-F48 PolarHBondContact O-N 3.28Å; I45-L49 HydrophobicContact CG1-CD1 3.9Å; I45-L49 HydrophobicContact CG1-CG 4.05Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 2.98Å; I45-L49 PolarHBondContact O-N 3.07Å; I45-I58 HydrophobicContact CG2-CD1 3.51Å; I45-P100 HydrophobicContact CD1-CG 4.18Å; I45-Y107 HydrophobicContact CD1-CE1 3.82Å
46H98.1Very high97.4Very high0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-61.7-54.2179.8-79-66.4000112.5M5 L8 L42 F48 L49 T50 Y56 I58 L233M5-H46 HydrophobicContact CE-CB 3.91Å; M5-H46 HydrophobicContact SD-CB 3.31Å; M5-H46 WeakPolarHBondContact SD-CB 3.37Å; L8-H46 VanDerWaalsContact CD1-CE1 3.5Å; L8-H46 WeakPolarHBondContact CD1-CE1 3.44Å; L42-H46 PolarHBondContact O-CD2 3.12Å; L42-H46 PolarHBondContact O-N 2.86Å; H46-F48 PolarHBondContact O-N 3.31Å; H46-L49 PolarHBondContact O-N 3.25Å; H46-T50 WeakPolarHBondContact O-CB 3.47Å; H46-T50 PolarHBondContact O-N 2.82Å; H46-T50 PolarHBondContact O-OG1 3.35Å; H46-Y56 WeakPolarHBondContact CA-OH 3.48Å; H46-Y56 AromaticContact ND1-CE2 3.44Å; H46-Y56 WeakPolarHBondContact ND1-CE2 3.39Å; H46-Y56 AromaticContact ND1-CZ 3.68Å; H46-Y56 PolarHBondContact ND1-OH 2.86Å; H46-Y56 PolarHBondContact O-OH 3.3Å; H46-I58 WeakPolarHBondContact CE1-CD1 3.26Å; H46-L233 PolarHBondContact CE1-O 3.26Å; H46-L233 PolarHBondContact NE2-O 3.01Å
47P96.9Very high97.6Very high39 Ų3933.3 Ų33.325%0.25316%0.156SC..Hα-helixtrans-57-40175-25.834.6000112.6M5 S43 T50 R51M5-P47 HydrophobicContact CE-CG 4.46Å; S43-P47 WeakPolarHBondContact O-CD 3.44Å; P47-T50 PolarHBondContact O-N 3.07Å; P47-R51 VanDerWaalsContact C-NH1 3.3Å; P47-R51 WeakPolarHBondContact O-CG 3.41Å; P47-R51 PolarHBondContact O-N 3.03Å; P47-R51 PolarHBondContact O-NH1 3.39Å
48F98Very high97.6Very high1 Ų132.7 Ų32.70%0.00415%0.154CC..Hα-helixtrans-61-51.6179168.4-93.2000112.4H44 I45 H46 T50 R51 Q52 P100 N102 D103 I105 Y107H44-F48 WeakPolarHBondContact O-CB 3.46Å; H44-F48 PolarHBondContact O-N 3.38Å; I45-F48 HydrophobicContact CD1-CD1 3.77Å; I45-F48 HydrophobicContact CD1-CE1 4.25Å; I45-F48 WeakPolarHBondContact O-CB 3.27Å; I45-F48 PolarHBondContact O-N 3.28Å; H46-F48 PolarHBondContact O-N 3.31Å; F48-T50 VanDerWaalsContact C-N 3.33Å; F48-T50 PolarHBondContact O-N 2.92Å; F48-R51 PolarHBondContact O-N 2.66Å; F48-Q52 VanDerWaalsContact CE1-NE2 3.26Å; F48-Q52 PolarHBondContact O-N 3.41Å; F48-P100 HydrophobicContact CD1-CG 3.91Å; F48-P100 HydrophobicContact CD2-CB 4.46Å; F48-P100 HydrophobicContact CD2-CG 3.9Å; F48-P100 HydrophobicContact CE1-CB 4.37Å; F48-P100 HydrophobicContact CE1-CG 3.67Å; F48-P100 HydrophobicContact CE2-CB 3.81Å; F48-P100 HydrophobicContact CE2-CG 3.64Å; F48-P100 HydrophobicContact CG-CG 4Å; F48-P100 HydrophobicContact CZ-CB 3.73Å; F48-P100 HydrophobicContact CZ-CG 3.5Å; F48-P100 VanDerWaalsContact CZ-CG 3.5Å; F48-N102 WeakPolarHBondContact CE2-O 3.38Å; F48-D103 WeakPolarHBondContact CD2-OD1 3.26Å; F48-I105 HydrophobicContact CZ-CB 4.45Å; F48-I105 WeakPolarHBondContact CZ-O 3.31Å; F48-Y107 HydrophobicContact CE1-CD1 4.35Å; F48-Y107 AromaticContact CE1-CD2 3.4Å; F48-Y107 HydrophobicContact CE1-CD2 3.4Å; F48-Y107 HydrophobicContact CE1-CE1 4.34Å; F48-Y107 AromaticContact CE1-CE2 3.35Å; F48-Y107 HydrophobicContact CE1-CE2 3.35Å; F48-Y107 AromaticContact CE1-CG 3.89Å; F48-Y107 HydrophobicContact CE1-CG 3.89Å; F48-Y107 AromaticContact CE1-CZ 3.85Å; F48-Y107 AromaticContact CZ-CD2 3.74Å; F48-Y107 HydrophobicContact CZ-CD2 3.74Å; F48-Y107 AromaticContact CZ-CE2 3.62Å; F48-Y107 HydrophobicContact CZ-CE2 3.62Å
49L97.9Very high97.7Very high0 Ų032.2 Ų32.20%015%0.151CC..Hα-helixtrans-65.8-36.4178.5-64.7173.7000112V27 I45 H46 R51 Q52 L54 Y56 I58 Y107V27-L49 HydrophobicContact CG2-CD1 3.92Å; I45-L49 HydrophobicContact CG1-CD1 3.9Å; I45-L49 HydrophobicContact CG1-CG 4.05Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 2.98Å; I45-L49 PolarHBondContact O-N 3.07Å; H46-L49 PolarHBondContact O-N 3.25Å; L49-R51 PolarHBondContact O-N 2.71Å; L49-Q52 WeakPolarHBondContact O-CB 3.48Å; L49-Q52 PolarHBondContact O-N 2.91Å; L49-Q52 VanDerWaalsContact O-N 3.14Å; L49-L54 HydrophobicContact CB-CD1 4.48Å; L49-L54 HydrophobicContact CD2-CD1 3.87Å; L49-Y56 HydrophobicContact CB-CD1 3.61Å; L49-Y56 HydrophobicContact CB-CD2 4.38Å; L49-Y56 HydrophobicContact CB-CE1 3.43Å; L49-Y56 VanDerWaalsContact CB-CE1 3.43Å; L49-Y56 HydrophobicContact CB-CE2 4.29Å; L49-Y56 HydrophobicContact CB-CG 4.08Å; L49-Y56 HydrophobicContact CD1-CD1 4.34Å; L49-Y56 HydrophobicContact CD1-CD2 3.67Å; L49-Y56 HydrophobicContact CD1-CE1 4.44Å; L49-Y56 HydrophobicContact CD1-CE2 3.85Å; L49-Y56 HydrophobicContact CD1-CG 3.95Å; L49-I58 HydrophobicContact CD1-CD1 4.48Å; L49-Y107 HydrophobicContact CD2-CD1 3.51Å; L49-Y107 HydrophobicContact CD2-CE1 4.3Å; L49-Y107 HydrophobicContact CD2-CG 3.7Å
50T96.4Very high97.8Very high42 Ų4228.5 Ų28.526%0.25813%0.134SC..Hα-helixtrans-62.5-40.6176.4-65.30000111.6N14 H46 P47 F48 Q52 R53 Y56N14-T50 PolarHBondContact ND2-OG1 3.21Å; H46-T50 WeakPolarHBondContact O-CB 3.47Å; H46-T50 PolarHBondContact O-N 2.82Å; H46-T50 PolarHBondContact O-OG1 3.35Å; P47-T50 PolarHBondContact O-N 3.07Å; F48-T50 VanDerWaalsContact C-N 3.33Å; F48-T50 PolarHBondContact O-N 2.92Å; T50-Q52 PolarHBondContact O-N 3.18Å; T50-R53 PolarHBondContact O-N 3.49Å; T50-Y56 PolarHBondContact OG1-OH 2.82Å
51R96.3Very high97.8Very high134 Ų13425.1 Ų25.151%0.50612%0.117SC..Hα-helixtrans-63.1-24.4175.2-72-170.5-55.6-83.12.8113.4P47 F48 L49 R53 D103P47-R51 VanDerWaalsContact C-NH1 3.3Å; P47-R51 WeakPolarHBondContact O-CG 3.41Å; P47-R51 PolarHBondContact O-N 3.03Å; P47-R51 PolarHBondContact O-NH1 3.39Å; F48-R51 PolarHBondContact O-N 2.66Å; L49-R51 PolarHBondContact O-N 2.71Å; R51-R53 VanDerWaalsContact C-N 3.26Å; R51-R53 PolarHBondContact O-N 2.73Å; R51-D103 IonicContact CZ-OD1 3.48Å; R51-D103 IonicContact CZ-OD2 3.64Å; R51-D103 IonicContact NE-OD1 3.34Å; R51-D103 PolarHBondContact NE-OD1 3.16Å; R51-D103 IonicContact NE-OD2 2.8Å; R51-D103 PolarHBondContact NE-OD2 3.34Å; R51-D103 IonicContact NH2-OD1 2.76Å; R51-D103 PolarHBondContact NH2-OD1 3.19Å; R51-D103 IonicContact NH2-OD2 3.61Å
52Q96.5Very high97.8Very high21 Ų2127.2 Ų27.210%0.09813%0.126CC..THydrogen-bonded Turntrans-80.8-2.5175.3-60.3-168.216.500114S22 F48 L49 T50 L54 I105S22-Q52 PolarHBondContact OG-O 3.3Å; F48-Q52 VanDerWaalsContact CE1-NE2 3.26Å; F48-Q52 PolarHBondContact O-N 3.41Å; L49-Q52 WeakPolarHBondContact O-CB 3.48Å; L49-Q52 PolarHBondContact O-N 2.91Å; L49-Q52 VanDerWaalsContact O-N 3.14Å; T50-Q52 PolarHBondContact O-N 3.18Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 HydrophobicContact CB-CD1 3.89Å; Q52-L54 HydrophobicContact CB-CG 3.85Å; Q52-L54 PolarHBondContact O-N 3.42Å; Q52-I105 PolarHBondContact NE2-O 2.91Å
53R96.4Very high97.8Very high157 Ų15727.5 Ų27.559%0.59213%0.128SC*.THydrogen-bonded Turntrans55.342.7-178.5-55-178.9-67.2-179.4-0.8112.5P16 P21 S22 T50 R51P16-R53 HydrophobicContact CB-CB 4.36Å; P16-R53 HydrophobicContact CG-CB 4.17Å; P16-R53 VanDerWaalsContact CG-O 3.27Å; P16-R53 WeakPolarHBondContact CG-O 3.47Å; P21-R53 WeakPolarHBondContact CA-O 3.33Å; S22-R53 PolarHBondContact N-O 3.39Å; S22-R53 PolarHBondContact OG-O 2.81Å; T50-R53 PolarHBondContact O-N 3.49Å; R51-R53 VanDerWaalsContact C-N 3.26Å; R51-R53 PolarHBondContact O-N 2.73Å
54L97.8Very high97.6Very high1 Ų126.7 Ų26.71%0.00512%0.123CC..  trans-87.6143.4174.6-60.7167.8000110P16 S22 D23 V25 L49 Q52 Y56P16-L54 WeakPolarHBondContact CD-O 3.43Å; P16-L54 WeakPolarHBondContact CG-O 3.27Å; S22-L54 WeakPolarHBondContact OG-CD2 3.46Å; D23-L54 HydrophobicContact CB-CD2 3.96Å; V25-L54 HydrophobicContact CG2-CB 4.5Å; V25-L54 HydrophobicContact CG2-CD1 4.27Å; V25-L54 HydrophobicContact CG2-CD2 3.88Å; V25-L54 HydrophobicContact CG2-CG 4.44Å; L49-L54 HydrophobicContact CB-CD1 4.48Å; L49-L54 HydrophobicContact CD2-CD1 3.87Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 HydrophobicContact CB-CD1 3.89Å; Q52-L54 HydrophobicContact CB-CG 3.85Å; Q52-L54 PolarHBondContact O-N 3.42Å; L54-Y56 HydrophobicContact CB-CD1 4.2Å
55H98.4Very high96.9Very high13 Ų1328.4 Ų28.46%0.0614%0.142CC..EExtended strand (participates in β ladder)trans-80.6115153.5171.5-141.7000106.3N14 T15 P21 D23 H24 V25 Y86 W88N14-H55 CarbonylContact O-C 3.6Å; N14-H55 VanDerWaalsContact O-CA 3.29Å; N14-H55 WeakPolarHBondContact O-CA 3.34Å; N14-H55 PolarHBondContact O-CD2 3.21Å; T15-H55 PolarHBondContact OG1-CD2 2.76Å; P21-H55 HydrophobicContact CB-CB 3.63Å; P21-H55 HydrophobicContact CG-CB 3.94Å; D23-H55 PolarHBondContact O-N 3.15Å; D23-H55 VanDerWaalsContact O-N 3.1Å; H24-H55 CarbonylContact C-O 3.6Å; H24-H55 WeakPolarHBondContact CA-O 3.4Å; H24-H55 AromaticContact CE1-ND1 3.9Å; H24-H55 AromaticContact CG-ND1 3.9Å; H24-H55 WeakPolarHBondContact ND1-CB 3.28Å; H24-H55 AromaticContact ND1-CG 3.59Å; H24-H55 AromaticContact ND1-ND1 3.04Å; H24-H55 PolarHBondContact ND1-ND1 3.28Å; V25-H55 PolarHBondContact N-O 3.06Å; H55-Y86 AromaticContact CE1-CD1 3.79Å; H55-Y86 AromaticContact CE1-CD2 3.85Å; H55-Y86 AromaticContact CE1-CE1 3.6Å; H55-Y86 AromaticContact CE1-CE2 3.63Å; H55-Y86 AromaticContact CE1-CG 3.93Å; H55-Y86 AromaticContact CE1-CZ 3.5Å; H55-Y86 AromaticContact ND1-CE1 3.63Å; H55-Y86 AromaticContact ND1-CZ 3.63Å; H55-W88 AromaticContact CE1-CH2 3.9Å; H55-W88 AromaticContact CE1-CZ3 3.7Å; H55-W88 AromaticContact ND1-CZ3 3.91Å; H55-W88 AromaticContact NE2-CH2 3.84Å; H55-W88 AromaticContact NE2-CZ3 3.93Å
56Y98.7Very high96.5Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-138157.3-175.273.8-95.7000113.1I13 N14 V25 H46 L49 T50 L54 I58I13-Y56 VanDerWaalsContact CA-O 3.27Å; I13-Y56 WeakPolarHBondContact CA-O 3.29Å; N14-Y56 HydrophobicContact CB-CD1 4.01Å; N14-Y56 HydrophobicContact CB-CE1 3.47Å; N14-Y56 VanDerWaalsContact CB-CE1 3.47Å; N14-Y56 HydrophobicContact CB-CE2 4.28Å; N14-Y56 PolarHBondContact N-O 3.39Å; N14-Y56 PolarHBondContact O-N 3.46Å; V25-Y56 CarbonylContact O-C 3.55Å; V25-Y56 WeakPolarHBondContact O-CA 3.39Å; V25-Y56 WeakPolarHBondContact O-CB 3.29Å; H46-Y56 WeakPolarHBondContact CA-OH 3.48Å; H46-Y56 AromaticContact ND1-CE2 3.44Å; H46-Y56 WeakPolarHBondContact ND1-CE2 3.39Å; H46-Y56 AromaticContact ND1-CZ 3.68Å; H46-Y56 PolarHBondContact ND1-OH 2.86Å; H46-Y56 PolarHBondContact O-OH 3.3Å; L49-Y56 HydrophobicContact CB-CD1 3.61Å; L49-Y56 HydrophobicContact CB-CD2 4.38Å; L49-Y56 HydrophobicContact CB-CE1 3.43Å; L49-Y56 VanDerWaalsContact CB-CE1 3.43Å; L49-Y56 HydrophobicContact CB-CE2 4.29Å; L49-Y56 HydrophobicContact CB-CG 4.08Å; L49-Y56 HydrophobicContact CD1-CD1 4.34Å; L49-Y56 HydrophobicContact CD1-CD2 3.67Å; L49-Y56 HydrophobicContact CD1-CE1 4.44Å; L49-Y56 HydrophobicContact CD1-CE2 3.85Å; L49-Y56 HydrophobicContact CD1-CG 3.95Å; T50-Y56 PolarHBondContact OG1-OH 2.82Å; L54-Y56 HydrophobicContact CB-CD1 4.2Å; Y56-I58 HydrophobicContact CD2-CG1 4.18Å; Y56-I58 HydrophobicContact CE2-CD1 4.35Å; Y56-I58 HydrophobicContact CE2-CG1 4.2Å
57G98.6Very high96.3Very high0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans-136.3147.6166.400000110.6V25 V27V25-G57 PolarHBondContact O-N 2.85Å; V27-G57 PolarHBondContact N-O 2.72Å
58I98.8Very high96.3Very high0 Ų035.5 Ų35.50%018%0.179CC..EExtended strand (participates in β ladder)trans-108.9128.5178.9-55.7-174.3000109.1V27 V29 F41 L42 I45 H46 L49 Y56 I60 Y234 V235V27-I58 HydrophobicContact CB-CG1 4.34Å; V29-I58 HydrophobicContact CG2-CG2 4.42Å; F41-I58 HydrophobicContact CE1-CG2 4.43Å; L42-I58 HydrophobicContact CD2-CD1 4.16Å; L42-I58 HydrophobicContact CD2-CG2 4.3Å; I45-I58 HydrophobicContact CG2-CD1 3.51Å; H46-I58 WeakPolarHBondContact CE1-CD1 3.26Å; L49-I58 HydrophobicContact CD1-CD1 4.48Å; Y56-I58 HydrophobicContact CD2-CG1 4.18Å; Y56-I58 HydrophobicContact CE2-CD1 4.35Å; Y56-I58 HydrophobicContact CE2-CG1 4.2Å; I58-I60 HydrophobicContact CG2-CD1 3.86Å; I58-Y234 CarbonylContact O-C 3.54Å; I58-Y234 WeakPolarHBondContact O-CA 3.35Å; I58-Y234 WeakPolarHBondContact O-CB 3.48Å; I58-V235 PolarHBondContact O-N 2.86Å
59F98.9Very high96.3Very high0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-119108.7-176.7-63.7-97.7000109.1A26 V27 I28 V29 A82 I85 W88 V235A26-F59 HydrophobicContact CB-CD2 4.1Å; A26-F59 HydrophobicContact CB-CE2 3.84Å; V27-F59 PolarHBondContact O-N 2.86Å; I28-F59 HydrophobicContact CD1-CB 3.72Å; I28-F59 HydrophobicContact CD1-CD2 3.82Å; I28-F59 HydrophobicContact CD1-CG 3.89Å; V29-F59 PolarHBondContact N-O 2.8Å; F59-A82 HydrophobicContact CD1-CB 3.91Å; F59-A82 HydrophobicContact CD2-CB 3.95Å; F59-A82 VanDerWaalsContact CE1-CA 3.41Å; F59-A82 HydrophobicContact CE1-CB 3.61Å; F59-A82 HydrophobicContact CE2-CB 3.67Å; F59-A82 HydrophobicContact CG-CB 4.08Å; F59-A82 HydrophobicContact CZ-CB 3.49Å; F59-A82 VanDerWaalsContact CZ-CB 3.49Å; F59-I85 HydrophobicContact CE1-CD1 3.73Å; F59-I85 HydrophobicContact CE1-CG1 4.33Å; F59-I85 HydrophobicContact CZ-CD1 4.35Å; F59-W88 HydrophobicContact CE2-CZ2 4.03Å; F59-W88 AromaticContact CE2-NE1 3.96Å; F59-W88 HydrophobicContact CZ-CZ2 4.01Å; F59-W88 AromaticContact CZ-NE1 3.7Å; F59-V235 WeakPolarHBondContact CA-O 3.31Å; F59-V235 HydrophobicContact CD1-CB 3.72Å; F59-V235 HydrophobicContact CD1-CG1 4.03Å; F59-V235 HydrophobicContact CD1-CG2 4.03Å; F59-V235 HydrophobicContact CE1-CB 3.98Å; F59-V235 HydrophobicContact CE1-CG1 4.18Å; F59-V235 HydrophobicContact CE1-CG2 3.8Å; F59-V235 HydrophobicContact CG-CB 4.38Å; F59-V235 HydrophobicContact CZ-CG2 4.25Å
60I98.8Very high96.3Very high0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-92.6113.8175-54.2-52.6000107.6V29 Y31 L38 I58 E62 Y234 V235 V237V29-I60 HydrophobicContact CB-CD1 3.66Å; V29-I60 HydrophobicContact CG1-CD1 4.11Å; V29-I60 HydrophobicContact CG2-CD1 3.98Å; V29-I60 WeakPolarHBondContact O-CA 3.42Å; Y31-I60 HydrophobicContact CD1-CG2 4Å; Y31-I60 HydrophobicContact CD2-CG2 4.45Å; Y31-I60 HydrophobicContact CG-CG2 3.74Å; L38-I60 HydrophobicContact CD1-CD1 3.58Å; L38-I60 HydrophobicContact CD1-CG1 3.96Å; L38-I60 HydrophobicContact CD2-CG2 4.49Å; I58-I60 HydrophobicContact CG2-CD1 3.86Å; I60-E62 HydrophobicContact CG2-CG 4.22Å; I60-Y234 HydrophobicContact CB-CD2 3.66Å; I60-Y234 HydrophobicContact CB-CE2 3.94Å; I60-Y234 HydrophobicContact CB-CG 4.42Å; I60-Y234 HydrophobicContact CG1-CD1 4.24Å; I60-Y234 HydrophobicContact CG1-CD2 3.24Å; I60-Y234 HydrophobicContact CG1-CE2 3.76Å; I60-Y234 HydrophobicContact CG1-CG 3.51Å; I60-Y234 HydrophobicContact CG2-CE2 4.48Å; I60-V235 PolarHBondContact N-O 2.7Å; I60-V237 PolarHBondContact O-N 2.75Å
61V98.9Very high96.4Very high0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-110.6117-172.9-165.10000110.2I28 V29 P30 Y31 L74 I77 V237 V239I28-V61 HydrophobicContact CG2-CG2 4.01Å; V29-V61 PolarHBondContact O-N 2.87Å; P30-V61 CarbonylContact C-O 3.58Å; P30-V61 WeakPolarHBondContact CA-O 3.33Å; Y31-V61 PolarHBondContact N-O 3.19Å; V61-L74 HydrophobicContact CG1-CB 4.29Å; V61-L74 HydrophobicContact CG1-CD2 3.91Å; V61-I77 HydrophobicContact CG1-CB 4.35Å; V61-I77 HydrophobicContact CG1-CG2 4.17Å; V61-V237 CarbonylContact C-O 3.57Å; V61-V237 WeakPolarHBondContact CA-O 3.42Å; V61-V237 HydrophobicContact CG1-CB 4.37Å; V61-V237 HydrophobicContact CG1-CG1 4.17Å; V61-V237 HydrophobicContact CG2-CB 4.46Å; V61-V239 HydrophobicContact CG1-CG2 4.38Å
62E98.2Very high96.5Very high44 Ų4428.9 Ų28.921%0.20615%0.15CC..EExtended strand (participates in β ladder)trans-118.6132.3-172.5-50-166.7-132.100110.9Y31 I60 N236 V237 V238 V239Y31-E62 HydrophobicContact CD1-CG 3.71Å; Y31-E62 VanDerWaalsContact CD1-OE2 3.27Å; Y31-E62 WeakPolarHBondContact CD1-OE2 3.41Å; Y31-E62 WeakPolarHBondContact CE1-OE2 3.47Å; Y31-E62 WeakPolarHBondContact O-CA 3.44Å; I60-E62 HydrophobicContact CG2-CG 4.22Å; E62-N236 PolarHBondContact OE1-ND2 3.34Å; E62-V237 PolarHBondContact N-O 2.87Å; E62-V238 HydrophobicContact CB-CG2 4.47Å; E62-V238 WeakPolarHBondContact O-CA 3.38Å; E62-V239 WeakPolarHBondContact O-CG2 3.22Å; E62-V239 PolarHBondContact O-N 3.14Å
63P97.4Very high96.6Very high9 Ų928.1 Ų28.16%0.05815%0.146CC..EExtended strand (participates in β ladder)trans-73.8163.7168.133.9-33000110.3Y31 E67 F69 L74 V239 T241Y31-P63 WeakPolarHBondContact O-CD 3.37Å; P63-E67 HydrophobicContact CB-CB 4.31Å; P63-F69 HydrophobicContact CG-CD2 4.42Å; P63-L74 HydrophobicContact CB-CD2 4.23Å; P63-L74 HydrophobicContact CG-CD1 4.22Å; P63-V239 CarbonylContact C-O 3.45Å; P63-V239 WeakPolarHBondContact CA-O 3.33Å; P63-T241 HydrophobicContact CB-CG2 4.24Å
64S93.1Very high96.7Very high31 Ų3120.6 Ų20.622%0.21712%0.118CC..  trans-59.8153.4168.869.30000111.2N66 E67 V239S64-N66 PolarHBondContact O-N 2.91Å; S64-E67 PolarHBondContact N-OE2 3.2Å; S64-E67 PolarHBondContact O-N 3.4Å; S64-E67 VanDerWaalsContact OG-CD 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.38Å; S64-E67 PolarHBondContact OG-OE2 2.92Å; S64-V239 PolarHBondContact N-O 3.43Å
65S83.3Confident96.8Very high105 Ų10520.6 Ų20.673%0.73412%0.118SC*.THydrogen-bonded Turntrans-58.6-17.3-163.762.10000116.1
66N88.7Confident96.8Very high148 Ų14820 Ų2079%0.79112%0.115SC*.THydrogen-bonded Turntrans-112.86.6-171.9-65.2-13.5000114.4S64S64-N66 PolarHBondContact O-N 2.91Å
67E95.3Very high96.8Very high14 Ų1420 Ų207%0.06512%0.115CC..SBendtrans-92.2145.7-178.6-66.1179.2111.400112.5R32 P63 S64 N240 T241 F242 E243R32-E67 PolarHBondContact NH1-O 2.88Å; P63-E67 HydrophobicContact CB-CB 4.31Å; S64-E67 PolarHBondContact N-OE2 3.2Å; S64-E67 PolarHBondContact O-N 3.4Å; S64-E67 VanDerWaalsContact OG-CD 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.38Å; S64-E67 PolarHBondContact OG-OE2 2.92Å; E67-N240 PolarHBondContact OE1-OD1 2.03Å; E67-T241 WeakPolarHBondContact OE1-CA 3.09Å; E67-T241 WeakPolarHBondContact OE1-CB 3.02Å; E67-T241 PolarHBondContact OE1-N 3.21Å; E67-T241 PolarHBondContact OE1-OG1 3.25Å; E67-T241 PolarHBondContact OE2-N 2.98Å; E67-T241 PolarHBondContact OE2-OG1 3Å; E67-F242 PolarHBondContact OE1-N 2.99Å; E67-F242 VanDerWaalsContact OE1-N 3.15Å; E67-E243 WeakPolarHBondContact CA-OE2 3.4Å; E67-E243 HydrophobicContact CB-CB 4.49Å; E67-E243 HydrophobicContact CG-CB 4.14Å; E67-E243 PolarHBondContact OE1-N 3.13Å
68T96.4Very high96.8Very high26 Ų2620 Ų2016%0.1612%0.115CC..PPolyproline II helixtrans-62.3136.9167.1-550000109.2N70 W155 P197 E243 R247T68-N70 PolarHBondContact O-N 2.9Å; T68-W155 HydrophobicContact CG2-CB 4.25Å; T68-P197 HydrophobicContact CG2-CG 4.17Å; T68-E243 WeakPolarHBondContact CB-OE1 3.45Å; T68-E243 PolarHBondContact N-OE2 2.93Å; T68-E243 PolarHBondContact OG1-OE1 3.42Å; T68-R247 PolarHBondContact OG1-NH2 2.96Å
69F97.5Very high96.8Very high22 Ų2220.5 Ų20.510%0.09612%0.117CC..PPolyproline II helixtrans-62.8125.3-179.9-162.5-112.3000110.9P30 R32 P63 R71 L74 G156 G195 N196P30-F69 HydrophobicContact CB-CE2 4.36Å; P30-F69 HydrophobicContact CB-CZ 3.73Å; P30-F69 HydrophobicContact CG-CZ 4.18Å; R32-F69 HydrophobicContact CB-CD2 4.31Å; R32-F69 HydrophobicContact CB-CE2 4.34Å; P63-F69 HydrophobicContact CG-CD2 4.42Å; F69-R71 HydrophobicContact CD1-CB 4.13Å; F69-R71 HydrophobicContact CE1-CB 3.74Å; F69-R71 HydrophobicContact CE1-CG 4.15Å; F69-L74 HydrophobicContact CD2-CD1 3.81Å; F69-L74 HydrophobicContact CE2-CD1 3.46Å; F69-L74 VanDerWaalsContact CE2-CD1 3.46Å; F69-L74 HydrophobicContact CZ-CD1 4Å; F69-G156 WeakPolarHBondContact O-CA 3.4Å; F69-G156 PolarHBondContact O-N 2.98Å; F69-G195 PolarHBondContact N-O 3.37Å; F69-N196 HydrophobicContact CB-CB 4.08Å
70N98Very high96.8Very high2 Ų221.7 Ų21.71%0.01113%0.127CC..  trans-121.687.6174.8-172.5-32.5000108.4T68 G72 K73 L74 N152 Y154 W155T68-N70 PolarHBondContact O-N 2.9Å; N70-G72 VanDerWaalsContact C-N 3.34Å; N70-G72 PolarHBondContact O-N 2.88Å; N70-K73 HydrophobicContact CB-CB 4.06Å; N70-K73 VanDerWaalsContact CG-CB 3.4Å; N70-K73 PolarHBondContact O-N 2.6Å; N70-K73 WeakPolarHBondContact OD1-CB 3.26Å; N70-K73 PolarHBondContact OD1-N 2.88Å; N70-L74 VanDerWaalsContact O-CG 3.32Å; N70-L74 WeakPolarHBondContact O-CG 3.43Å; N70-L74 PolarHBondContact O-N 2.96Å; N70-N152 PolarHBondContact ND2-O 3.39Å; N70-Y154 PolarHBondContact OD1-O 2.86Å; N70-W155 HydrophobicContact CB-CD2 4.27Å; N70-W155 HydrophobicContact CB-CE3 3.77Å; N70-W155 HydrophobicContact CB-CH2 4.18Å; N70-W155 HydrophobicContact CB-CZ3 3.75Å; N70-W155 VanDerWaalsContact ND2-CE2 3.31Å; N70-W155 VanDerWaalsContact ND2-CZ2 3.35Å; N70-W155 WeakPolarHBondContact ND2-CZ2 3.16Å
71R98Very high96.8Very high14 Ų1421.9 Ų21.95%0.05313%0.128CC..Hα-helixtrans-55.4-49.3-174.2-174.3175.9173-84.63.1111.5P30 F69 K73 L74 M75 D95 G135 E160 D161P30-R71 HydrophobicContact CG-CG 3.79Å; F69-R71 HydrophobicContact CD1-CB 4.13Å; F69-R71 HydrophobicContact CE1-CB 3.74Å; F69-R71 HydrophobicContact CE1-CG 4.15Å; R71-K73 PolarHBondContact O-N 3.31Å; R71-L74 PolarHBondContact O-N 3.01Å; R71-M75 HydrophobicContact CG-CE 4.5Å; R71-M75 VanDerWaalsContact O-CG 3.31Å; R71-M75 WeakPolarHBondContact O-CG 3.49Å; R71-M75 PolarHBondContact O-N 3.47Å; R71-D95 IonicContact CZ-OD1 3.77Å; R71-D95 IonicContact NE-OD1 3.8Å; R71-D95 PolarHBondContact NE-OD1 2.97Å; R71-D95 IonicContact NH2-OD1 3.41Å; R71-D95 PolarHBondContact NH2-OD1 2.89Å; R71-G135 PolarHBondContact NH2-O 3.24Å; R71-E160 HydrophobicContact CB-CG 4.36Å; R71-E160 WeakPolarHBondContact CD-OE1 3.35Å; R71-D161 IonicContact CZ-OD1 2.8Å; R71-D161 IonicContact CZ-OD2 3.79Å; R71-D161 VanDerWaalsContact NH1-CG 3.31Å; R71-D161 IonicContact NH1-OD1 2.72Å; R71-D161 PolarHBondContact NH1-OD1 3.49Å; R71-D161 IonicContact NH1-OD2 3.03Å; R71-D161 PolarHBondContact NH1-OD2 2.98Å
72G98.6Very high96.8Very high0 Ų021.9 Ų21.90%013%0.128CC..Hα-helixtrans-60.6-46.3-179.300000113.1N70 L74 M75 N76 Y150N70-G72 VanDerWaalsContact C-N 3.34Å; N70-G72 PolarHBondContact O-N 2.88Å; G72-L74 PolarHBondContact O-N 3.4Å; G72-M75 WeakPolarHBondContact O-CB 3.42Å; G72-M75 PolarHBondContact O-N 2.97Å; G72-N76 PolarHBondContact O-N 2.8Å; G72-Y150 VanDerWaalsContact CA-CB 3.48Å; G72-Y150 WeakPolarHBondContact O-CB 3.26Å
73K98.7Very high96.8Very high4 Ų421.6 Ų21.62%0.01713%0.127CC..Hα-helixtrans-63.6-42.3177.8-169.9167.6-174.4174.40111.8N70 R71 M75 N76 I77 N152 W155 L221 N222 T241 S246N70-K73 HydrophobicContact CB-CB 4.06Å; N70-K73 VanDerWaalsContact CG-CB 3.4Å; N70-K73 PolarHBondContact O-N 2.6Å; N70-K73 WeakPolarHBondContact OD1-CB 3.26Å; N70-K73 PolarHBondContact OD1-N 2.88Å; R71-K73 PolarHBondContact O-N 3.31Å; K73-M75 VanDerWaalsContact C-N 3.34Å; K73-M75 PolarHBondContact O-N 3.23Å; K73-N76 WeakPolarHBondContact O-CB 3.41Å; K73-N76 PolarHBondContact O-N 3.24Å; K73-I77 HydrophobicContact CG-CD1 4.09Å; K73-I77 VanDerWaalsContact O-CG1 3.27Å; K73-I77 WeakPolarHBondContact O-CG1 3.4Å; K73-I77 PolarHBondContact O-N 2.83Å; K73-N152 HydrophobicContact CB-CB 4.45Å; K73-N152 HydrophobicContact CD-CB 4.17Å; K73-N152 HydrophobicContact CG-CB 4.33Å; K73-W155 HydrophobicContact CD-CH2 4.28Å; K73-W155 HydrophobicContact CD-CZ2 4.36Å; K73-L221 HydrophobicContact CG-CD1 4.12Å; K73-N222 WeakPolarHBondContact CE-O 3.08Å; K73-N222 PolarHBondContact NZ-O 3.49Å; K73-T241 PolarHBondContact NZ-O 3.32Å; K73-S246 PolarHBondContact NZ-OG 3.15Å
74L98.8Very high96.9Very high0 Ų027.7 Ų27.70%015%0.153CC..Hα-helixtrans-64-36.7176.5-67.1168.5000112.4P30 V61 P63 F69 N70 R71 G72 I77 G78 V239 T241P30-L74 HydrophobicContact CB-CB 3.58Å; P30-L74 HydrophobicContact CB-CD1 3.91Å; P30-L74 HydrophobicContact CB-CG 4.41Å; V61-L74 HydrophobicContact CG1-CB 4.29Å; V61-L74 HydrophobicContact CG1-CD2 3.91Å; P63-L74 HydrophobicContact CB-CD2 4.23Å; P63-L74 HydrophobicContact CG-CD1 4.22Å; F69-L74 HydrophobicContact CD2-CD1 3.81Å; F69-L74 HydrophobicContact CE2-CD1 3.46Å; F69-L74 VanDerWaalsContact CE2-CD1 3.46Å; F69-L74 HydrophobicContact CZ-CD1 4Å; N70-L74 VanDerWaalsContact O-CG 3.32Å; N70-L74 WeakPolarHBondContact O-CG 3.43Å; N70-L74 PolarHBondContact O-N 2.96Å; R71-L74 PolarHBondContact O-N 3.01Å; G72-L74 PolarHBondContact O-N 3.4Å; L74-I77 PolarHBondContact O-N 3.43Å; L74-G78 PolarHBondContact O-N 2.89Å; L74-V239 HydrophobicContact CD2-CG2 3.91Å; L74-T241 HydrophobicContact CD2-CG2 4.09Å
75M98.9Very high97.1Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-62-44.1171.9-68.2-62.6-167.900111.9I28 P30 R71 G72 K73 I77 G78 F79 F93 Y150I28-M75 HydrophobicContact CB-SD 4.21Å; I28-M75 HydrophobicContact CG2-SD 3.9Å; P30-M75 WeakPolarHBondContact CD-SD 3.39Å; P30-M75 HydrophobicContact CG-CE 3.44Å; P30-M75 VanDerWaalsContact CG-CE 3.44Å; P30-M75 HydrophobicContact CG-CG 4.29Å; P30-M75 HydrophobicContact CG-SD 3.86Å; R71-M75 HydrophobicContact CG-CE 4.5Å; R71-M75 VanDerWaalsContact O-CG 3.31Å; R71-M75 WeakPolarHBondContact O-CG 3.49Å; R71-M75 PolarHBondContact O-N 3.47Å; G72-M75 WeakPolarHBondContact O-CB 3.42Å; G72-M75 PolarHBondContact O-N 2.97Å; K73-M75 VanDerWaalsContact C-N 3.34Å; K73-M75 PolarHBondContact O-N 3.23Å; M75-I77 VanDerWaalsContact C-N 3.35Å; M75-I77 PolarHBondContact O-N 3.47Å; M75-G78 PolarHBondContact O-N 3.31Å; M75-F79 PolarHBondContact O-N 3.46Å; M75-F93 HydrophobicContact CB-CD1 3.83Å; M75-F93 HydrophobicContact CB-CE1 4.17Å; M75-F93 HydrophobicContact CE-CB 3.77Å; M75-F93 HydrophobicContact CG-CB 4.49Å; M75-F93 HydrophobicContact CG-CD1 4.03Å; M75-F93 HydrophobicContact SD-CB 3.72Å; M75-F93 HydrophobicContact SD-CD1 3.54Å; M75-F93 VanDerWaalsContact SD-CD1 3.54Å; M75-F93 HydrophobicContact SD-CG 4.08Å; M75-Y150 HydrophobicContact CB-CD2 3.55Å; M75-Y150 HydrophobicContact CB-CE2 3.56Å; M75-Y150 HydrophobicContact CB-CG 4.42Å; M75-Y150 HydrophobicContact CG-CD2 4.18Å; M75-Y150 HydrophobicContact CG-CE2 3.79Å
76N98.9Very high97.9Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-61.8-41.6175.6-74.3-17.5000112G72 K73 F79 A80 F144 Y150 N152 L218 L221G72-N76 PolarHBondContact O-N 2.8Å; K73-N76 WeakPolarHBondContact O-CB 3.41Å; K73-N76 PolarHBondContact O-N 3.24Å; N76-F79 WeakPolarHBondContact O-CB 3.32Å; N76-F79 PolarHBondContact O-N 3.49Å; N76-A80 PolarHBondContact O-N 2.78Å; N76-F144 WeakPolarHBondContact OD1-CZ 3.39Å; N76-Y150 PolarHBondContact ND2-O 2.97Å; N76-Y150 PolarHBondContact OD1-N 3.14Å; N76-N152 PolarHBondContact ND2-OD1 3.04Å; N76-L218 HydrophobicContact CB-CD2 4.02Å; N76-L221 HydrophobicContact CB-CD1 3.66Å; N76-L221 HydrophobicContact CB-CD2 3.92Å; N76-L221 HydrophobicContact CB-CG 4.4Å
77I98.9Very high98.3Very high0 Ų026.4 Ų26.40%013%0.129CC..Hα-helixtrans-65.5-46.5177.6-65.6168.3000110.7V61 K73 L74 M75 F79 A80 E81 L221 Y223 V239 T241V61-I77 HydrophobicContact CG1-CB 4.35Å; V61-I77 HydrophobicContact CG1-CG2 4.17Å; K73-I77 HydrophobicContact CG-CD1 4.09Å; K73-I77 VanDerWaalsContact O-CG1 3.27Å; K73-I77 WeakPolarHBondContact O-CG1 3.4Å; K73-I77 PolarHBondContact O-N 2.83Å; L74-I77 PolarHBondContact O-N 3.43Å; M75-I77 VanDerWaalsContact C-N 3.35Å; M75-I77 PolarHBondContact O-N 3.47Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 3.23Å; I77-A80 PolarHBondContact O-N 2.88Å; I77-E81 HydrophobicContact CG2-CG 4.19Å; I77-E81 PolarHBondContact O-N 3.41Å; I77-L221 HydrophobicContact CG1-CD1 3.98Å; I77-L221 HydrophobicContact CG1-CD2 4.37Å; I77-L221 HydrophobicContact CG1-CG 4.43Å; I77-Y223 HydrophobicContact CD1-CD1 4.12Å; I77-Y223 HydrophobicContact CD1-CD2 4.26Å; I77-Y223 HydrophobicContact CD1-CG 3.77Å; I77-Y223 HydrophobicContact CG1-CD1 3.68Å; I77-Y223 HydrophobicContact CG1-CD2 4.21Å; I77-Y223 HydrophobicContact CG1-CE1 4.02Å; I77-Y223 HydrophobicContact CG1-CG 3.78Å; I77-Y223 HydrophobicContact CG2-CD2 3.81Å; I77-Y223 HydrophobicContact CG2-CE1 4.36Å; I77-Y223 HydrophobicContact CG2-CE2 3.63Å; I77-Y223 HydrophobicContact CG2-CG 4.26Å; I77-V239 HydrophobicContact CD1-CG2 3.92Å; I77-V239 HydrophobicContact CG2-CG1 3.87Å; I77-V239 HydrophobicContact CG2-CG2 4.36Å; I77-T241 HydrophobicContact CD1-CG2 4.17Å
78G98.9Very high98.4Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-59.1-40.1175.500000112.9I28 L74 M75 A80 A82I28-G78 WeakPolarHBondContact CD1-O 3.31Å; L74-G78 PolarHBondContact O-N 2.89Å; M75-G78 PolarHBondContact O-N 3.31Å; G78-A80 PolarHBondContact O-N 2.97Å; G78-A82 WeakPolarHBondContact O-CB 3.25Å; G78-A82 PolarHBondContact O-N 2.89Å
79F98.9Very high98.5Very high12 Ų1226.8 Ų26.85%0.05313%0.134CC..Hα-helixtrans-57.9-46.9171.3169.6-92000112M75 N76 I77 L83 F91 R141 F144 I145 L218M75-F79 PolarHBondContact O-N 3.46Å; N76-F79 WeakPolarHBondContact O-CB 3.32Å; N76-F79 PolarHBondContact O-N 3.49Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 3.23Å; F79-L83 HydrophobicContact CD1-CD1 4.17Å; F79-L83 HydrophobicContact CD2-CD1 4.48Å; F79-L83 HydrophobicContact CE1-CD1 3.61Å; F79-L83 HydrophobicContact CE2-CD1 3.95Å; F79-L83 HydrophobicContact CZ-CD1 3.48Å; F79-L83 VanDerWaalsContact CZ-CD1 3.48Å; F79-L83 WeakPolarHBondContact O-CG 3.18Å; F79-L83 PolarHBondContact O-N 2.85Å; F79-F91 HydrophobicContact CB-CD1 4.39Å; F79-F91 HydrophobicContact CB-CE1 4.35Å; F79-F91 AromaticContact CD2-CD1 3.5Å; F79-F91 HydrophobicContact CD2-CD1 3.5Å; F79-F91 AromaticContact CD2-CD2 3.76Å; F79-F91 HydrophobicContact CD2-CD2 3.76Å; F79-F91 AromaticContact CD2-CE1 3.35Å; F79-F91 HydrophobicContact CD2-CE1 3.35Å; F79-F91 AromaticContact CD2-CE2 3.65Å; F79-F91 HydrophobicContact CD2-CE2 3.65Å; F79-F91 AromaticContact CD2-CG 3.7Å; F79-F91 HydrophobicContact CD2-CG 3.7Å; F79-F91 AromaticContact CD2-CZ 3.43Å; F79-F91 HydrophobicContact CD2-CZ 3.43Å; F79-F91 VanDerWaalsContact CD2-CZ 3.43Å; F79-F91 HydrophobicContact CE2-CD1 4.25Å; F79-F91 AromaticContact CE2-CD2 3.71Å; F79-F91 HydrophobicContact CE2-CD2 3.71Å; F79-F91 AromaticContact CE2-CE1 3.92Å; F79-F91 HydrophobicContact CE2-CE1 3.92Å; F79-F91 AromaticContact CE2-CE2 3.36Å; F79-F91 HydrophobicContact CE2-CE2 3.36Å; F79-F91 HydrophobicContact CE2-CG 4.15Å; F79-F91 AromaticContact CE2-CZ 3.47Å; F79-F91 HydrophobicContact CE2-CZ 3.47Å; F79-F91 VanDerWaalsContact CE2-CZ 3.47Å; F79-F91 HydrophobicContact CG-CD1 4.37Å; F79-F91 HydrophobicContact CG-CE1 4.12Å; F79-F91 HydrophobicContact CG-CZ 4.43Å; F79-F91 HydrophobicContact CZ-CE2 4.49Å; F79-F91 HydrophobicContact CZ-CZ 4.49Å; F79-R141 HydrophobicContact CE2-CG 4.21Å; F79-R141 HydrophobicContact CZ-CG 4.19Å; F79-F144 HydrophobicContact CB-CD1 4.14Å; F79-F144 HydrophobicContact CB-CE1 3.62Å; F79-F144 HydrophobicContact CB-CZ 4.5Å; F79-F144 AromaticContact CD1-CD1 3.85Å; F79-F144 HydrophobicContact CD1-CD1 3.85Å; F79-F144 AromaticContact CD1-CE1 3.85Å; F79-F144 HydrophobicContact CD1-CE1 3.85Å; F79-F144 AromaticContact CD2-CD1 3.3Å; F79-F144 HydrophobicContact CD2-CD1 3.3Å; F79-F144 AromaticContact CD2-CE1 3.74Å; F79-F144 HydrophobicContact CD2-CE1 3.74Å; F79-F144 HydrophobicContact CD2-CG 4.21Å; F79-F144 HydrophobicContact CE1-CD1 4.05Å; F79-F144 HydrophobicContact CE1-CE1 4.46Å; F79-F144 HydrophobicContact CE2-CB 4.18Å; F79-F144 AromaticContact CE2-CD1 3.53Å; F79-F144 HydrophobicContact CE2-CD1 3.53Å; F79-F144 HydrophobicContact CE2-CE1 4.36Å; F79-F144 HydrophobicContact CE2-CG 4.27Å; F79-F144 AromaticContact CG-CD1 3.49Å; F79-F144 HydrophobicContact CG-CD1 3.49Å; F79-F144 VanDerWaalsContact CG-CD1 3.49Å; F79-F144 AromaticContact CG-CE1 3.46Å; F79-F144 HydrophobicContact CG-CE1 3.46Å; F79-F144 VanDerWaalsContact CG-CE1 3.46Å; F79-F144 AromaticContact CZ-CD1 3.9Å; F79-F144 HydrophobicContact CZ-CD1 3.9Å; F79-I145 HydrophobicContact CZ-CD1 4.39Å; F79-I145 HydrophobicContact CZ-CG1 3.94Å; F79-L218 HydrophobicContact CD1-CD1 4.32Å; F79-L218 HydrophobicContact CD1-CD2 3.82Å; F79-L218 HydrophobicContact CE1-CD1 3.95Å; F79-L218 HydrophobicContact CE1-CD2 4.19Å
80A98.9Very high98.6Very high24 Ų2425.8 Ų25.820%0.19813%0.129CC..Hα-helixtrans-66.7-45.6-17900000112.6N76 I77 G78 L221N76-A80 PolarHBondContact O-N 2.78Å; I77-A80 PolarHBondContact O-N 2.88Å; G78-A80 PolarHBondContact O-N 2.97Å; A80-L221 HydrophobicContact CB-CD2 4.1Å
81E98.9Very high98.6Very high4 Ų425.7 Ų25.72%0.01913%0.129CC..Hα-helixtrans-70.2-38.5179.1-67.7-58.314900112.1I77 L83 K84 Y223 V237I77-E81 HydrophobicContact CG2-CG 4.19Å; I77-E81 PolarHBondContact O-N 3.41Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.34Å; E81-K84 WeakPolarHBondContact O-CB 3.44Å; E81-K84 PolarHBondContact O-N 2.97Å; E81-K84 IonicContact OE1-NZ 3.57Å; E81-K84 PolarHBondContact OE1-NZ 3.19Å; E81-K84 WeakPolarHBondContact OE2-CD 3.43Å; E81-K84 WeakPolarHBondContact OE2-CE 3.46Å; E81-K84 IonicContact OE2-NZ 2.68Å; E81-K84 PolarHBondContact OE2-NZ 2.88Å; E81-Y223 HydrophobicContact CG-CE2 4.41Å; E81-Y223 VanDerWaalsContact OE1-CE2 3.26Å; E81-Y223 WeakPolarHBondContact OE1-CE2 3.48Å; E81-Y223 PolarHBondContact OE1-OH 2.8Å; E81-V237 HydrophobicContact CB-CG1 4.4Å; E81-V237 HydrophobicContact CB-CG2 4.44Å; E81-V237 HydrophobicContact CG-CG1 3.92Å
82A98.8Very high98.7Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-59.5-39.4177.100000112.2A26 I28 F59 G78 K84 I85 Y86 W88 F91A26-A82 HydrophobicContact CB-CB 3.94Å; I28-A82 HydrophobicContact CD1-CB 3.95Å; F59-A82 HydrophobicContact CD1-CB 3.91Å; F59-A82 HydrophobicContact CD2-CB 3.95Å; F59-A82 VanDerWaalsContact CE1-CA 3.41Å; F59-A82 HydrophobicContact CE1-CB 3.61Å; F59-A82 HydrophobicContact CE2-CB 3.67Å; F59-A82 HydrophobicContact CG-CB 4.08Å; F59-A82 HydrophobicContact CZ-CB 3.49Å; F59-A82 VanDerWaalsContact CZ-CB 3.49Å; G78-A82 WeakPolarHBondContact O-CB 3.25Å; G78-A82 PolarHBondContact O-N 2.89Å; A82-K84 PolarHBondContact O-N 3.13Å; A82-I85 PolarHBondContact O-N 2.9Å; A82-I85 VanDerWaalsContact O-N 3.07Å; A82-Y86 PolarHBondContact O-N 2.84Å; A82-W88 PolarHBondContact O-NE1 2.83Å; A82-F91 HydrophobicContact CB-CE1 4.24Å
83L98.7Very high98.7Very high39 Ų3925 Ų2520%0.20413%0.126CC..Hα-helixtrans-66.5-17.8177-77.5173.1000114.3F79 E81 I85 Y86 F91F79-L83 HydrophobicContact CD1-CD1 4.17Å; F79-L83 HydrophobicContact CD2-CD1 4.48Å; F79-L83 HydrophobicContact CE1-CD1 3.61Å; F79-L83 HydrophobicContact CE2-CD1 3.95Å; F79-L83 HydrophobicContact CZ-CD1 3.48Å; F79-L83 VanDerWaalsContact CZ-CD1 3.48Å; F79-L83 WeakPolarHBondContact O-CG 3.18Å; F79-L83 PolarHBondContact O-N 2.85Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.34Å; L83-I85 VanDerWaalsContact C-N 3.35Å; L83-Y86 WeakPolarHBondContact CA-O 3.43Å; L83-F91 HydrophobicContact CD1-CZ 4.26Å; L83-F91 HydrophobicContact CD2-CZ 3.82Å; L83-F91 HydrophobicContact CG-CE1 4.46Å; L83-F91 HydrophobicContact CG-CZ 3.8Å
84K98.5Very high98.7Very high136 Ų13624.8 Ų24.859%0.59113%0.126SC*.Hα-helixtrans-78.9-21.1172.7-58.7179.3-165.4167.20112.4E81 A82E81-K84 WeakPolarHBondContact O-CB 3.44Å; E81-K84 PolarHBondContact O-N 2.97Å; E81-K84 IonicContact OE1-NZ 3.57Å; E81-K84 PolarHBondContact OE1-NZ 3.19Å; E81-K84 WeakPolarHBondContact OE2-CD 3.43Å; E81-K84 WeakPolarHBondContact OE2-CE 3.46Å; E81-K84 IonicContact OE2-NZ 2.68Å; E81-K84 PolarHBondContact OE2-NZ 2.88Å; A82-K84 PolarHBondContact O-N 3.13Å
85I98.1Very high98.7Very high58 Ų5826.7 Ų26.730%0.29714%0.136SC..Hα-helixtrans-90-44.2179.3-59.3-165.7000111.3I13 F59 A82 L83 L228 M230 V235I13-I85 HydrophobicContact CD1-CG2 4.28Å; F59-I85 HydrophobicContact CE1-CD1 3.73Å; F59-I85 HydrophobicContact CE1-CG1 4.33Å; F59-I85 HydrophobicContact CZ-CD1 4.35Å; A82-I85 PolarHBondContact O-N 2.9Å; A82-I85 VanDerWaalsContact O-N 3.07Å; L83-I85 VanDerWaalsContact C-N 3.35Å; I85-L228 HydrophobicContact CD1-CD2 4.43Å; I85-M230 HydrophobicContact CD1-CE 4.46Å; I85-M230 HydrophobicContact CD1-SD 3.89Å; I85-V235 HydrophobicContact CD1-CG1 3.86Å; I85-V235 HydrophobicContact CD1-CG2 3.97Å
86Y98.4Very high98.6Very high89 Ų8927.2 Ų27.235%0.34914%0.139SC..  trans-153.1156.4-179.7-173.8-93.1000111.2H24 H55 A82 L83 W88H24-Y86 HydrophobicContact CB-CE1 3.89Å; H24-Y86 PolarHBondContact CE1-OH 2.89Å; H24-Y86 AromaticContact CG-CE1 3.85Å; H24-Y86 AromaticContact ND1-CE1 3.98Å; H55-Y86 AromaticContact CE1-CD1 3.79Å; H55-Y86 AromaticContact CE1-CD2 3.85Å; H55-Y86 AromaticContact CE1-CE1 3.6Å; H55-Y86 AromaticContact CE1-CE2 3.63Å; H55-Y86 AromaticContact CE1-CG 3.93Å; H55-Y86 AromaticContact CE1-CZ 3.5Å; H55-Y86 AromaticContact ND1-CE1 3.63Å; H55-Y86 AromaticContact ND1-CZ 3.63Å; A82-Y86 PolarHBondContact O-N 2.84Å; L83-Y86 WeakPolarHBondContact CA-O 3.43Å; Y86-W88 AromaticContact CD1-CD2 3.78Å; Y86-W88 HydrophobicContact CD1-CD2 3.78Å; Y86-W88 AromaticContact CD1-CE3 3.76Å; Y86-W88 HydrophobicContact CD1-CE3 3.76Å; Y86-W88 HydrophobicContact CD1-CG 4.22Å; Y86-W88 HydrophobicContact CD1-CH2 4.43Å; Y86-W88 HydrophobicContact CD1-CZ2 4.46Å; Y86-W88 HydrophobicContact CD1-CZ3 4.1Å; Y86-W88 HydrophobicContact CE1-CE3 4.43Å; Y86-W88 HydrophobicContact CG-CD2 4.38Å; Y86-W88 HydrophobicContact CG-CZ2 4.37Å; Y86-W88 PolarHBondContact O-N 2.93Å
87N97.8Very high98.6Very high111 Ų11127.9 Ų27.959%0.59414%0.142SC*.  trans-79.165.2177.6-171.533.5000111.9S89 R141N87-S89 PolarHBondContact O-N 3.35Å; N87-R141 PolarHBondContact OD1-NH1 2.77Å
88W98.7Very high98.5Very high1 Ų127.9 Ų27.90%0.00414%0.143CC..  trans-61.4132.9-178.8-51.8102.8000112.1H24 V25 A26 H55 F59 A82 Y86 F91H24-W88 HydrophobicContact CB-CE3 4.19Å; V25-W88 VanDerWaalsContact C-CE3 3.49Å; A26-W88 HydrophobicContact CB-CB 4.08Å; A26-W88 HydrophobicContact CB-CD2 3.88Å; A26-W88 HydrophobicContact CB-CG 3.66Å; H55-W88 AromaticContact CE1-CH2 3.9Å; H55-W88 AromaticContact CE1-CZ3 3.7Å; H55-W88 AromaticContact ND1-CZ3 3.91Å; H55-W88 AromaticContact NE2-CH2 3.84Å; H55-W88 AromaticContact NE2-CZ3 3.93Å; F59-W88 HydrophobicContact CE2-CZ2 4.03Å; F59-W88 AromaticContact CE2-NE1 3.96Å; F59-W88 HydrophobicContact CZ-CZ2 4.01Å; F59-W88 AromaticContact CZ-NE1 3.7Å; A82-W88 PolarHBondContact O-NE1 2.83Å; Y86-W88 AromaticContact CD1-CD2 3.78Å; Y86-W88 HydrophobicContact CD1-CD2 3.78Å; Y86-W88 AromaticContact CD1-CE3 3.76Å; Y86-W88 HydrophobicContact CD1-CE3 3.76Å; Y86-W88 HydrophobicContact CD1-CG 4.22Å; Y86-W88 HydrophobicContact CD1-CH2 4.43Å; Y86-W88 HydrophobicContact CD1-CZ2 4.46Å; Y86-W88 HydrophobicContact CD1-CZ3 4.1Å; Y86-W88 HydrophobicContact CE1-CE3 4.43Å; Y86-W88 HydrophobicContact CG-CD2 4.38Å; Y86-W88 HydrophobicContact CG-CZ2 4.37Å; Y86-W88 PolarHBondContact O-N 2.93Å; W88-F91 HydrophobicContact CB-CE1 4.34Å; W88-F91 HydrophobicContact CB-CE2 4.23Å; W88-F91 HydrophobicContact CB-CZ 3.85Å
89S98.3Very high98.5Very high47 Ų4728.7 Ų28.733%0.32915%0.147SC..SBendtrans-87.8-29.817743.90000112.4D23 H24 N87 S140 R141D23-S89 PolarHBondContact OD1-OG 3.16Å; H24-S89 PolarHBondContact N-OG 2.97Å; H24-S89 PolarHBondContact O-N 3.04Å; H24-S89 VanDerWaalsContact O-N 3.13Å; H24-S89 PolarHBondContact O-OG 3.03Å; N87-S89 PolarHBondContact O-N 3.35Å; S89-S140 WeakPolarHBondContact O-CA 2.98Å; S89-R141 PolarHBondContact O-N 2.87Å
90C98.8Very high98.5Very high0 Ų028.2 Ų28.20%015%0.145CC..EExtended strand (participates in β ladder)trans-127.2140.9-174.8-178.20000111.5D23 H24 V25 A26 S108 C109D23-C90 VanDerWaalsContact OD2-CB 3.26Å; D23-C90 WeakPolarHBondContact OD2-CB 3.15Å; H24-C90 PolarHBondContact O-N 3.37Å; V25-C90 WeakPolarHBondContact CA-O 3.27Å; V25-C90 HydrophobicContact CG2-CB 4.07Å; A26-C90 PolarHBondContact N-O 3.29Å; C90-S108 VanDerWaalsContact SG-C 3.58Å; C90-C109 WeakPolarHBondContact CA-SG 3.42Å; C90-C109 HydrophobicContact CB-CB 3.64Å; C90-C109 WeakPolarHBondContact CB-SG 3.39Å; C90-C109 WeakPolarHBondContact SG-CB 3.45Å; C90-C109 PolarHBondContact SG-N 2.99Å; C90-C109 CovalentContact SG-SG 2.03Å; C90-C109 PolarHBondContact SG-SG 3.05Å
91F98.9Very high98.5Very high0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-122.2128.7176.4-66.6-93.8000109.1A26 I28 F79 A82 L83 W88 F93 S138 M139 R141A26-F91 HydrophobicContact CB-CD1 3.77Å; A26-F91 HydrophobicContact CB-CE1 3.8Å; A26-F91 WeakPolarHBondContact O-CA 3.47Å; I28-F91 HydrophobicContact CD1-CD1 4.49Å; I28-F91 HydrophobicContact CG1-CD1 4.26Å; F79-F91 HydrophobicContact CB-CD1 4.39Å; F79-F91 HydrophobicContact CB-CE1 4.35Å; F79-F91 AromaticContact CD2-CD1 3.5Å; F79-F91 HydrophobicContact CD2-CD1 3.5Å; F79-F91 AromaticContact CD2-CD2 3.76Å; F79-F91 HydrophobicContact CD2-CD2 3.76Å; F79-F91 AromaticContact CD2-CE1 3.35Å; F79-F91 HydrophobicContact CD2-CE1 3.35Å; F79-F91 AromaticContact CD2-CE2 3.65Å; F79-F91 HydrophobicContact CD2-CE2 3.65Å; F79-F91 AromaticContact CD2-CG 3.7Å; F79-F91 HydrophobicContact CD2-CG 3.7Å; F79-F91 AromaticContact CD2-CZ 3.43Å; F79-F91 HydrophobicContact CD2-CZ 3.43Å; F79-F91 VanDerWaalsContact CD2-CZ 3.43Å; F79-F91 HydrophobicContact CE2-CD1 4.25Å; F79-F91 AromaticContact CE2-CD2 3.71Å; F79-F91 HydrophobicContact CE2-CD2 3.71Å; F79-F91 AromaticContact CE2-CE1 3.92Å; F79-F91 HydrophobicContact CE2-CE1 3.92Å; F79-F91 AromaticContact CE2-CE2 3.36Å; F79-F91 HydrophobicContact CE2-CE2 3.36Å; F79-F91 HydrophobicContact CE2-CG 4.15Å; F79-F91 AromaticContact CE2-CZ 3.47Å; F79-F91 HydrophobicContact CE2-CZ 3.47Å; F79-F91 VanDerWaalsContact CE2-CZ 3.47Å; F79-F91 HydrophobicContact CG-CD1 4.37Å; F79-F91 HydrophobicContact CG-CE1 4.12Å; F79-F91 HydrophobicContact CG-CZ 4.43Å; F79-F91 HydrophobicContact CZ-CE2 4.49Å; F79-F91 HydrophobicContact CZ-CZ 4.49Å; A82-F91 HydrophobicContact CB-CE1 4.24Å; L83-F91 HydrophobicContact CD1-CZ 4.26Å; L83-F91 HydrophobicContact CD2-CZ 3.82Å; L83-F91 HydrophobicContact CG-CE1 4.46Å; L83-F91 HydrophobicContact CG-CZ 3.8Å; W88-F91 HydrophobicContact CB-CE1 4.34Å; W88-F91 HydrophobicContact CB-CE2 4.23Å; W88-F91 HydrophobicContact CB-CZ 3.85Å; F91-F93 HydrophobicContact CB-CE1 4.34Å; F91-F93 HydrophobicContact CB-CE2 4.03Å; F91-F93 HydrophobicContact CB-CZ 3.77Å; F91-F93 HydrophobicContact CG-CZ 4.49Å; F91-S138 CarbonylContact O-C 3.54Å; F91-S138 VanDerWaalsContact O-CA 3.26Å; F91-S138 WeakPolarHBondContact O-CA 3.15Å; F91-M139 PolarHBondContact N-O 3.05Å; F91-M139 PolarHBondContact O-N 3.42Å; F91-R141 HydrophobicContact CD2-CB 4.42Å; F91-R141 HydrophobicContact CE2-CB 3.89Å; F91-R141 HydrophobicContact CE2-CG 4.13Å
92V98.9Very high98.3Very high0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-108.2119.1170.1175.70000107.7V25 A26 V27 I28 H94 Y107 L116 S137V25-V92 HydrophobicContact CG1-CB 4.36Å; V25-V92 HydrophobicContact CG1-CG2 3.63Å; A26-V92 PolarHBondContact O-N 3.39Å; V27-V92 CarbonylContact C-O 3.52Å; V27-V92 WeakPolarHBondContact CA-O 3.42Å; V27-V92 HydrophobicContact CG1-CB 4.49Å; V27-V92 HydrophobicContact CG1-CG1 4.41Å; V27-V92 HydrophobicContact CG2-CB 4.22Å; I28-V92 PolarHBondContact N-O 3.21Å; V92-H94 HydrophobicContact CG1-CB 4.41Å; V92-Y107 HydrophobicContact CB-CD1 4.36Å; V92-Y107 HydrophobicContact CG1-CD1 3.75Å; V92-Y107 HydrophobicContact CG1-CE1 3.86Å; V92-Y107 HydrophobicContact CG2-CD1 4.05Å; V92-Y107 HydrophobicContact CG2-CG 4.42Å; V92-L116 HydrophobicContact CG1-CD1 3.83Å; V92-L116 HydrophobicContact CG2-CD1 4.49Å; V92-S137 CarbonylContact C-O 3.39Å; V92-S137 VanDerWaalsContact CA-O 3.26Å; V92-S137 WeakPolarHBondContact CA-O 3.36Å
93F98.9Very high98.1Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-97.9124.4176.1-58.2-69.3000108.3I28 M75 F91 A136 S137 M139 F144 Y150I28-F93 HydrophobicContact CB-CD1 4.04Å; I28-F93 HydrophobicContact CB-CE1 4.41Å; I28-F93 HydrophobicContact CG1-CD1 4.3Å; I28-F93 HydrophobicContact CG1-CE1 4.21Å; M75-F93 HydrophobicContact CB-CD1 3.83Å; M75-F93 HydrophobicContact CB-CE1 4.17Å; M75-F93 HydrophobicContact CE-CB 3.77Å; M75-F93 HydrophobicContact CG-CB 4.49Å; M75-F93 HydrophobicContact CG-CD1 4.03Å; M75-F93 HydrophobicContact SD-CB 3.72Å; M75-F93 HydrophobicContact SD-CD1 3.54Å; M75-F93 VanDerWaalsContact SD-CD1 3.54Å; M75-F93 HydrophobicContact SD-CG 4.08Å; F91-F93 HydrophobicContact CB-CE1 4.34Å; F91-F93 HydrophobicContact CB-CE2 4.03Å; F91-F93 HydrophobicContact CB-CZ 3.77Å; F91-F93 HydrophobicContact CG-CZ 4.49Å; F93-A136 CarbonylContact O-C 3.54Å; F93-A136 VanDerWaalsContact O-CA 3.3Å; F93-A136 WeakPolarHBondContact O-CA 3.4Å; F93-S137 PolarHBondContact N-O 3.36Å; F93-S137 PolarHBondContact O-N 3.38Å; F93-M139 HydrophobicContact CE2-CB 4.21Å; F93-M139 HydrophobicContact CE2-CG 4.4Å; F93-M139 HydrophobicContact CE2-SD 4.34Å; F93-F144 HydrophobicContact CD2-CE2 4.43Å; F93-F144 HydrophobicContact CE1-CE1 4.29Å; F93-F144 AromaticContact CE1-CE2 3.94Å; F93-F144 HydrophobicContact CE1-CE2 3.94Å; F93-F144 AromaticContact CE1-CZ 3.79Å; F93-F144 HydrophobicContact CE1-CZ 3.79Å; F93-F144 AromaticContact CE2-CD2 3.47Å; F93-F144 HydrophobicContact CE2-CD2 3.47Å; F93-F144 VanDerWaalsContact CE2-CD2 3.47Å; F93-F144 AromaticContact CE2-CE2 3.47Å; F93-F144 HydrophobicContact CE2-CE2 3.47Å; F93-F144 VanDerWaalsContact CE2-CE2 3.47Å; F93-F144 HydrophobicContact CE2-CG 4.17Å; F93-F144 HydrophobicContact CE2-CZ 4.16Å; F93-F144 HydrophobicContact CZ-CD1 4.01Å; F93-F144 AromaticContact CZ-CD2 3.39Å; F93-F144 HydrophobicContact CZ-CD2 3.39Å; F93-F144 AromaticContact CZ-CE1 3.81Å; F93-F144 HydrophobicContact CZ-CE1 3.81Å; F93-F144 AromaticContact CZ-CE2 3.17Å; F93-F144 HydrophobicContact CZ-CE2 3.17Å; F93-F144 AromaticContact CZ-CG 3.79Å; F93-F144 HydrophobicContact CZ-CG 3.79Å; F93-F144 AromaticContact CZ-CZ 3.38Å; F93-F144 HydrophobicContact CZ-CZ 3.38Å; F93-Y150 HydrophobicContact CB-CE2 4.43Å; F93-Y150 HydrophobicContact CD1-CE2 4.07Å; F93-Y150 HydrophobicContact CD2-CE2 4.13Å; F93-Y150 HydrophobicContact CE1-CE2 4.37Å; F93-Y150 HydrophobicContact CE2-CE2 4.44Å; F93-Y150 AromaticContact CG-CE2 3.95Å; F93-Y150 HydrophobicContact CG-CE2 3.95Å
94H98.8Very high98Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-142.6134.1-162.1-155.5-62.3000113.6V27 I28 V29 P30 F41 V92 L98 Y107 G135 A136 Y185V27-H94 HydrophobicContact CG1-CB 4.27Å; I28-H94 PolarHBondContact O-N 3.05Å; V29-H94 HydrophobicContact CG2-CB 4.31Å; P30-H94 WeakPolarHBondContact CD-O 3.48Å; F41-H94 AromaticContact CE2-CE1 3.58Å; F41-H94 AromaticContact CE2-ND1 3.55Å; V92-H94 HydrophobicContact CG1-CB 4.41Å; H94-L98 PolarHBondContact CE1-O 3.19Å; H94-Y107 AromaticContact CD2-CE1 3.63Å; H94-Y107 AromaticContact CD2-CZ 3.88Å; H94-Y107 PolarHBondContact CD2-OH 3.29Å; H94-Y107 AromaticContact NE2-CE1 3.9Å; H94-Y107 AromaticContact NE2-CZ 3.7Å; H94-Y107 PolarHBondContact NE2-OH 2.93Å; H94-G135 CarbonylContact C-O 3.51Å; H94-G135 WeakPolarHBondContact CA-O 3.4Å; H94-A136 VanDerWaalsContact CD2-CB 3.48Å; H94-A136 WeakPolarHBondContact CD2-CB 3.45Å; H94-Y185 AromaticContact NE2-CE1 3.9Å
95D98Very high97.9Very high39 Ų3933.5 Ų33.521%0.20917%0.168CC..  trans-77.1135.1168.3-65.9-7.9000110.9R71 D97 L98 G135R71-D95 IonicContact CZ-OD1 3.77Å; R71-D95 IonicContact NE-OD1 3.8Å; R71-D95 PolarHBondContact NE-OD1 2.97Å; R71-D95 IonicContact NH2-OD1 3.41Å; R71-D95 PolarHBondContact NH2-OD1 2.89Å; D95-D97 VanDerWaalsContact CB-OD1 3.3Å; D95-D97 WeakPolarHBondContact CB-OD1 3.48Å; D95-D97 PolarHBondContact O-N 3.03Å; D95-L98 HydrophobicContact CB-CD1 4.11Å; D95-L98 HydrophobicContact CB-CG 4.31Å; D95-L98 PolarHBondContact O-N 3.41Å; D95-G135 PolarHBondContact N-O 3.5Å; D95-G135 WeakPolarHBondContact OD2-CA 3.36Å
96V98Very high97.9Very high11 Ų1134.6 Ų34.67%0.06717%0.174CC..THydrogen-bonded Turntrans-64.3-14.9-175.671.70000114V29 Y31 R34 H37 L38 F41V29-V96 HydrophobicContact CG1-CB 3.74Å; V29-V96 HydrophobicContact CG1-CG2 4.18Å; Y31-V96 HydrophobicContact CD2-CB 4.48Å; Y31-V96 HydrophobicContact CD2-CG1 4.38Å; Y31-V96 HydrophobicContact CD2-CG2 4.15Å; R34-V96 HydrophobicContact CB-CG1 4.07Å; R34-V96 HydrophobicContact CG-CG1 4.28Å; H37-V96 HydrophobicContact CB-CG1 4.15Å; H37-V96 HydrophobicContact CB-CG2 4.41Å; L38-V96 HydrophobicContact CB-CG2 4.04Å; L38-V96 HydrophobicContact CD1-CG2 4.1Å; F41-V96 HydrophobicContact CB-CG2 4.05Å; F41-V96 WeakPolarHBondContact CB-O 3.44Å; F41-V96 HydrophobicContact CD1-CG2 4.44Å; F41-V96 HydrophobicContact CG-CG2 4.24Å
97D97.7Very high97.9Very high14 Ų1430.4 Ų30.48%0.07516%0.157CC..THydrogen-bonded Turntrans-100.66.3-175.271.6-28.1000114D95 M187 I188 H190D95-D97 VanDerWaalsContact CB-OD1 3.3Å; D95-D97 WeakPolarHBondContact CB-OD1 3.48Å; D95-D97 PolarHBondContact O-N 3.03Å; D97-M187 CarbonylContact O-C 3.56Å; D97-M187 WeakPolarHBondContact O-CA 3.39Å; D97-M187 WeakPolarHBondContact OD2-CG 3.49Å; D97-I188 HydrophobicContact CB-CB 4.31Å; D97-I188 PolarHBondContact O-N 3.5Å; D97-H190 IonicContact OD2-CE1 3.39Å; D97-H190 PolarHBondContact OD2-CE1 3.4Å; D97-H190 IonicContact OD2-ND1 3.17Å; D97-H190 PolarHBondContact OD2-ND1 3.12Å; D97-H190 IonicContact OD2-NE2 2.78Å
98L98.6Very high97.8Very high1 Ų126.3 Ų26.31%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-105.9134.8179.1-72177.5000111.1H94 D95 I120 Y185 M187H94-L98 PolarHBondContact CE1-O 3.19Å; D95-L98 HydrophobicContact CB-CD1 4.11Å; D95-L98 HydrophobicContact CB-CG 4.31Å; D95-L98 PolarHBondContact O-N 3.41Å; L98-I120 HydrophobicContact CD1-CD1 4.2Å; L98-I120 HydrophobicContact CD2-CD1 3.97Å; L98-I120 HydrophobicContact CD2-CG1 4.1Å; L98-I120 HydrophobicContact CD2-CG2 3.92Å; L98-Y185 HydrophobicContact CB-CD1 3.89Å; L98-Y185 HydrophobicContact CB-CE1 4.39Å; L98-M187 HydrophobicContact CD2-CB 3.95Å; L98-M187 HydrophobicContact CD2-CE 3.82Å; L98-M187 HydrophobicContact CD2-CG 4.26Å
99L98.6Very high97.8Very high17 Ų1727.6 Ų27.69%0.08915%0.146CC..EExtended strand (participates in β ladder)trans-128123.7179.2-53.3175.5000109.9I40 F41 H44 E101 Y185 K186 I188I40-L99 HydrophobicContact CG2-CD1 3.8Å; F41-L99 HydrophobicContact CD2-CD2 4.25Å; H44-L99 HydrophobicContact CB-CD2 3.89Å; L99-E101 PolarHBondContact O-N 3.19Å; L99-Y185 VanDerWaalsContact C-CD1 3.4Å; L99-Y185 CarbonylContact O-C 3.58Å; L99-Y185 VanDerWaalsContact O-CA 3.28Å; L99-Y185 WeakPolarHBondContact O-CA 3.34Å; L99-Y185 WeakPolarHBondContact O-CD1 3.39Å; L99-K186 HydrophobicContact CB-CB 4.38Å; L99-K186 PolarHBondContact N-O 2.97Å; L99-K186 PolarHBondContact O-N 2.83Å; L99-I188 HydrophobicContact CD1-CD1 4.1Å; L99-I188 HydrophobicContact CD1-CG1 3.96Å; L99-I188 HydrophobicContact CD2-CD1 4.33Å; L99-I188 HydrophobicContact CG-CD1 4.24Å; L99-I188 HydrophobicContact CG-CG1 4.19Å
100P98.4Very high97.7Very high1 Ų126.6 Ų26.61%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-66133.9174.426.8-33.4000110H44 I45 F48 I105 Y107 Y185H44-P100 PolarHBondContact CE1-O 2.97Å; H44-P100 PolarHBondContact NE2-O 3.37Å; I45-P100 HydrophobicContact CD1-CG 4.18Å; F48-P100 HydrophobicContact CD1-CG 3.91Å; F48-P100 HydrophobicContact CD2-CB 4.46Å; F48-P100 HydrophobicContact CD2-CG 3.9Å; F48-P100 HydrophobicContact CE1-CB 4.37Å; F48-P100 HydrophobicContact CE1-CG 3.67Å; F48-P100 HydrophobicContact CE2-CB 3.81Å; F48-P100 HydrophobicContact CE2-CG 3.64Å; F48-P100 HydrophobicContact CG-CG 4Å; F48-P100 HydrophobicContact CZ-CB 3.73Å; F48-P100 HydrophobicContact CZ-CG 3.5Å; F48-P100 VanDerWaalsContact CZ-CG 3.5Å; P100-I105 HydrophobicContact CB-CD1 3.72Å; P100-Y107 HydrophobicContact CB-CE2 4.4Å; P100-Y107 HydrophobicContact CG-CE2 4.25Å; P100-Y185 HydrophobicContact CB-CD1 4.45Å; P100-Y185 HydrophobicContact CB-CE1 3.98Å; P100-Y185 HydrophobicContact CB-CE2 4.32Å; P100-Y185 HydrophobicContact CG-CE1 4.41Å
101E98.1Very high97.6Very high83 Ų8330.8 Ų30.839%0.38817%0.173SC..SBendtrans-87.3-10.5-176.3-63.9-172.5173.500113.6L99 Y125 H184 K186L99-E101 PolarHBondContact O-N 3.19Å; E101-Y125 PolarHBondContact OE1-OH 3.41Å; E101-Y125 PolarHBondContact OE2-OH 3.36Å; E101-H184 HydrophobicContact CB-CB 4.09Å; E101-H184 HydrophobicContact CG-CB 4.31Å; E101-H184 PolarHBondContact N-O 3.29Å; E101-H184 WeakPolarHBondContact OE2-CB 3.22Å; E101-H184 IonicContact OE2-ND1 3.58Å; E101-K186 HydrophobicContact CG-CB 4.22Å; E101-K186 PolarHBondContact OE1-N 3.43Å
102N94.6Very high97.6Very high36 Ų3631.9 Ų31.919%0.19318%0.179CC..SBendtrans-155.1158.3-17973.888.7000112.8F48 K104 D182F48-N102 WeakPolarHBondContact CE2-O 3.38Å; N102-K104 VanDerWaalsContact C-N 3.26Å; N102-K104 PolarHBondContact O-N 3.02Å; N102-K104 WeakPolarHBondContact OD1-CB 3.48Å; N102-K104 WeakPolarHBondContact OD1-CG 3.26Å; N102-K104 PolarHBondContact OD1-N 3.36Å; N102-D182 PolarHBondContact ND2-O 3.38Å; N102-D182 PolarHBondContact OD1-O 3.12Å
103D95.5Very high97.6Very high73 Ų7331.9 Ų31.939%0.3918%0.179SC..THydrogen-bonded Turntrans-77.10.1-174-68.6-14.8000114.9F48 R51 I105F48-D103 WeakPolarHBondContact CD2-OD1 3.26Å; R51-D103 IonicContact CZ-OD1 3.48Å; R51-D103 IonicContact CZ-OD2 3.64Å; R51-D103 IonicContact NE-OD1 3.34Å; R51-D103 PolarHBondContact NE-OD1 3.16Å; R51-D103 IonicContact NE-OD2 2.8Å; R51-D103 PolarHBondContact NE-OD2 3.34Å; R51-D103 IonicContact NH2-OD1 2.76Å; R51-D103 PolarHBondContact NH2-OD1 3.19Å; R51-D103 IonicContact NH2-OD2 3.61Å; D103-I105 VanDerWaalsContact C-N 3.28Å
104K96.4Very high97.5Very high123 Ų12333.3 Ų33.354%0.53518%0.184SC..THydrogen-bonded Turntrans-81.4-10.7179-53.4170.3-175153.70112.7N102 L106 D182N102-K104 VanDerWaalsContact C-N 3.26Å; N102-K104 PolarHBondContact O-N 3.02Å; N102-K104 WeakPolarHBondContact OD1-CB 3.48Å; N102-K104 WeakPolarHBondContact OD1-CG 3.26Å; N102-K104 PolarHBondContact OD1-N 3.36Å; K104-L106 PolarHBondContact O-N 3.17Å; K104-D182 HydrophobicContact CB-CB 4.04Å; K104-D182 HydrophobicContact CD-CB 4.21Å; K104-D182 WeakPolarHBondContact CD-OD1 3.3Å; K104-D182 IonicContact NZ-OD1 2.98Å; K104-D182 PolarHBondContact NZ-OD1 2.97Å
105I97.2Very high97.5Very high0 Ų033.3 Ų33.30%018%0.184CC..SBendtrans-81.293.7174.4-56.1160.5000107.8F48 Q52 P100 D103 Y107 L116 F178 D182 H184 Y185F48-I105 HydrophobicContact CZ-CB 4.45Å; F48-I105 WeakPolarHBondContact CZ-O 3.31Å; Q52-I105 PolarHBondContact NE2-O 2.91Å; P100-I105 HydrophobicContact CB-CD1 3.72Å; D103-I105 VanDerWaalsContact C-N 3.28Å; I105-Y107 HydrophobicContact CG2-CD2 4.14Å; I105-Y107 HydrophobicContact CG2-CE2 3.87Å; I105-Y107 WeakPolarHBondContact O-CD2 3.39Å; I105-Y107 PolarHBondContact O-N 3.27Å; I105-L116 HydrophobicContact CG2-CB 4.08Å; I105-L116 HydrophobicContact CG2-CD2 4.42Å; I105-F178 HydrophobicContact CB-CD2 4.48Å; I105-F178 HydrophobicContact CB-CE2 4.32Å; I105-F178 HydrophobicContact CG2-CD2 3.99Å; I105-F178 HydrophobicContact CG2-CE2 3.68Å; I105-D182 WeakPolarHBondContact CD1-O 3.26Å; I105-D182 WeakPolarHBondContact CG1-O 3.21Å; I105-H184 WeakPolarHBondContact CD1-O 3.5Å; I105-Y185 HydrophobicContact CD1-CD2 3.94Å; I105-Y185 HydrophobicContact CD1-CE2 3.53Å; I105-Y185 HydrophobicContact CG1-CE2 4.42Å; I105-Y185 HydrophobicContact CG2-CE2 4.02Å
106L96.9Very high97.5Very high81 Ų8131.5 Ų31.542%0.42417%0.174SC..  trans-72.5119.8-179.7-57177.4000111.3K104 S108 F178K104-L106 PolarHBondContact O-N 3.17Å; L106-S108 PolarHBondContact O-N 3.43Å; L106-S108 VanDerWaalsContact O-N 3.13Å; L106-F178 HydrophobicContact CB-CE1 4.27Å; L106-F178 HydrophobicContact CB-CZ 3.87Å; L106-F178 HydrophobicContact CG-CE1 4.41Å; L106-F178 HydrophobicContact CG-CZ 4.47Å; L106-F178 WeakPolarHBondContact O-CZ 3.45Å
107Y98.1Very high97.5Very high0 Ų031 Ų310%017%0.171CC..  trans-84.939.7174.6-87.2-131.3000111.3V25 I45 F48 L49 V92 H94 P100 I105 L116 Y185V25-Y107 WeakPolarHBondContact CG2-O 3.27Å; I45-Y107 HydrophobicContact CD1-CE1 3.82Å; F48-Y107 HydrophobicContact CE1-CD1 4.35Å; F48-Y107 AromaticContact CE1-CD2 3.4Å; F48-Y107 HydrophobicContact CE1-CD2 3.4Å; F48-Y107 HydrophobicContact CE1-CE1 4.34Å; F48-Y107 AromaticContact CE1-CE2 3.35Å; F48-Y107 HydrophobicContact CE1-CE2 3.35Å; F48-Y107 AromaticContact CE1-CG 3.89Å; F48-Y107 HydrophobicContact CE1-CG 3.89Å; F48-Y107 AromaticContact CE1-CZ 3.85Å; F48-Y107 AromaticContact CZ-CD2 3.74Å; F48-Y107 HydrophobicContact CZ-CD2 3.74Å; F48-Y107 AromaticContact CZ-CE2 3.62Å; F48-Y107 HydrophobicContact CZ-CE2 3.62Å; L49-Y107 HydrophobicContact CD2-CD1 3.51Å; L49-Y107 HydrophobicContact CD2-CE1 4.3Å; L49-Y107 HydrophobicContact CD2-CG 3.7Å; V92-Y107 HydrophobicContact CB-CD1 4.36Å; V92-Y107 HydrophobicContact CG1-CD1 3.75Å; V92-Y107 HydrophobicContact CG1-CE1 3.86Å; V92-Y107 HydrophobicContact CG2-CD1 4.05Å; V92-Y107 HydrophobicContact CG2-CG 4.42Å; H94-Y107 AromaticContact CD2-CE1 3.63Å; H94-Y107 AromaticContact CD2-CZ 3.88Å; H94-Y107 PolarHBondContact CD2-OH 3.29Å; H94-Y107 AromaticContact NE2-CE1 3.9Å; H94-Y107 AromaticContact NE2-CZ 3.7Å; H94-Y107 PolarHBondContact NE2-OH 2.93Å; P100-Y107 HydrophobicContact CB-CE2 4.4Å; P100-Y107 HydrophobicContact CG-CE2 4.25Å; I105-Y107 HydrophobicContact CG2-CD2 4.14Å; I105-Y107 HydrophobicContact CG2-CE2 3.87Å; I105-Y107 WeakPolarHBondContact O-CD2 3.39Å; I105-Y107 PolarHBondContact O-N 3.27Å; Y107-L116 HydrophobicContact CD1-CD1 4.38Å; Y107-L116 HydrophobicContact CD2-CD1 4.02Å; Y107-L116 HydrophobicContact CE1-CD1 4.37Å; Y107-L116 HydrophobicContact CE2-CD1 4.03Å; Y107-L116 HydrophobicContact CG-CD1 4.23Å; Y107-Y185 WeakPolarHBondContact CE2-OH 3.44Å; Y107-Y185 VanDerWaalsContact CZ-OH 3.3Å; Y107-Y185 WeakPolarHBondContact OH-CE1 3.32Å; Y107-Y185 PolarHBondContact OH-OH 2.98Å
108S97Very high97.5Very high25 Ų2530.9 Ų30.918%0.17517%0.172CC..SBendtrans-115.9169.3173.360.70000110.6C90 L106 R114 S138C90-S108 VanDerWaalsContact SG-C 3.58Å; L106-S108 PolarHBondContact O-N 3.43Å; L106-S108 VanDerWaalsContact O-N 3.13Å; S108-R114 PolarHBondContact O-NH1 3.26Å; S108-S138 PolarHBondContact O-OG 3.15Å
109C98.2Very high97.5Very high28 Ų2830.9 Ų30.919%0.18917%0.172CC..  trans-101.7137.2-177.8-71.80000111.8D23 C90 M139 S140D23-C109 PolarHBondContact OD2-N 3.4Å; C90-C109 WeakPolarHBondContact CA-SG 3.42Å; C90-C109 HydrophobicContact CB-CB 3.64Å; C90-C109 WeakPolarHBondContact CB-SG 3.39Å; C90-C109 WeakPolarHBondContact SG-CB 3.45Å; C90-C109 PolarHBondContact SG-N 2.99Å; C90-C109 CovalentContact SG-SG 2.03Å; C90-C109 PolarHBondContact SG-SG 3.05Å; C109-M139 PolarHBondContact SG-O 2.96Å; C109-S140 PolarHBondContact SG-N 3.44Å; C109-S140 VanDerWaalsContact SG-N 3.37Å
110G95.5Very high97.5Very high26 Ų2630.5 Ų30.527%0.26817%0.17SC..  trans-102.1-162.8174.700000112.9N112 H143G110-N112 PolarHBondContact O-N 3.27Å; G110-H143 PolarHBondContact O-CE1 3.35Å; G110-H143 VanDerWaalsContact O-CE1 3.29Å
111S97Very high97.4Very high89 Ų8932.2 Ų32.262%0.62218%0.179SC*.SBendtrans-72.1-11.5173.355.20000113.7H143S111-H143 VanDerWaalsContact C-CE1 3.46Å; S111-H143 PolarHBondContact O-CE1 3.43Å; S111-H143 PolarHBondContact O-NE2 2.86Å
112N98.6Very high97.4Very high22 Ų2233.9 Ų33.912%0.11819%0.185CC..SBendtrans-134.2155.3176.8-76.9-68000111.1G110 K174 E176G110-N112 PolarHBondContact O-N 3.27Å; N112-K174 HydrophobicContact CB-CG 4.21Å; N112-K174 VanDerWaalsContact CB-O 3.32Å; N112-K174 WeakPolarHBondContact CB-O 3.27Å; N112-K174 VanDerWaalsContact CG-CG 3.47Å; N112-K174 WeakPolarHBondContact ND2-CE 3.44Å; N112-K174 WeakPolarHBondContact OD1-CG 3.48Å; N112-K174 PolarHBondContact OD1-N 3.17Å; N112-E176 HydrophobicContact CB-CG 3.77Å; N112-E176 PolarHBondContact ND2-OE1 3.08Å
113P98.6Very high97.4Very high0 Ų036.2 Ų36.20%019%0.193CC..  trans-53.9137.2165.1-29.441.2000112F133 S138 M139 H143 I168 Y173 E176P113-F133 HydrophobicContact CB-CE2 4.26Å; P113-F133 HydrophobicContact CB-CZ 3.74Å; P113-S138 WeakPolarHBondContact CA-O 3.31Å; P113-M139 HydrophobicContact CB-CE 4.31Å; P113-M139 HydrophobicContact CB-CG 3.89Å; P113-M139 HydrophobicContact CB-SD 4.45Å; P113-M139 HydrophobicContact CG-CE 3.82Å; P113-M139 HydrophobicContact CG-CG 4.23Å; P113-H143 HydrophobicContact CG-CB 4.19Å; P113-I168 HydrophobicContact CB-CD1 3.87Å; P113-I168 HydrophobicContact CB-CG1 4.33Å; P113-I168 HydrophobicContact CB-CG2 4.22Å; P113-I168 HydrophobicContact CG-CD1 4.22Å; P113-I168 HydrophobicContact CG-CG1 4.12Å; P113-I168 HydrophobicContact CG-CG2 3.91Å; P113-Y173 HydrophobicContact CG-CG 4.48Å; P113-E176 PolarHBondContact O-N 3.29Å
114R98.3Very high97.5Very high31 Ų3141 Ų4112%0.11721%0.211CC..EExtended strand (participates in β ladder)trans-119.5130.6-176.4-165.7178.9-66.5147.1-3111.4S108 L116 S137 S138 E176 F178S108-R114 PolarHBondContact O-NH1 3.26Å; R114-L116 HydrophobicContact CB-CD2 4.3Å; R114-L116 HydrophobicContact CG-CD2 4.02Å; R114-S137 CarbonylContact O-C 3.57Å; R114-S137 WeakPolarHBondContact O-CA 3.33Å; R114-S137 WeakPolarHBondContact O-CB 3.32Å; R114-S138 PolarHBondContact N-O 3.21Å; R114-S138 PolarHBondContact O-N 3.02Å; R114-E176 CarbonylContact C-O 3.48Å; R114-E176 VanDerWaalsContact CA-O 3.28Å; R114-E176 WeakPolarHBondContact CA-O 3.31Å; R114-E176 HydrophobicContact CG-CB 4.38Å; R114-E176 WeakPolarHBondContact CG-O 3.48Å; R114-F178 HydrophobicContact CG-CE2 4.33Å
115H98.5Very high97.6Very high0 Ų038.2 Ų38.20%020%0.197CC..EExtended strand (participates in β ladder)trans-88.3108.6167.8-179.9-138.4000107.9S117 S118 F133 G134 I175 E176 R177H115-S117 PolarHBondContact CE1-O 2.82Å; H115-S117 PolarHBondContact NE2-O 3.35Å; H115-S118 VanDerWaalsContact CE1-CA 3.47Å; H115-S118 WeakPolarHBondContact CE1-CA 3.33Å; H115-F133 HydrophobicContact CB-CD2 3.74Å; H115-F133 HydrophobicContact CB-CE2 3.9Å; H115-G134 PolarHBondContact CD2-O 3.14Å; H115-G134 VanDerWaalsContact CD2-O 3.27Å; H115-G134 PolarHBondContact NE2-O 2.84Å; H115-I175 HydrophobicContact CB-CG2 3.91Å; H115-E176 PolarHBondContact N-O 2.77Å; H115-R177 HydrophobicContact CB-CG 3.84Å; H115-R177 PolarHBondContact ND1-NE 2.88Å
116L98.2Very high97.6Very high0 Ų047.1 Ų47.10%023%0.231CC..SBendtrans-78-45.3-174.9-51.4175.6000110.2V92 I105 Y107 R114 S118 A136 F178 Y185V92-L116 HydrophobicContact CG1-CD1 3.83Å; V92-L116 HydrophobicContact CG2-CD1 4.49Å; I105-L116 HydrophobicContact CG2-CB 4.08Å; I105-L116 HydrophobicContact CG2-CD2 4.42Å; Y107-L116 HydrophobicContact CD1-CD1 4.38Å; Y107-L116 HydrophobicContact CD2-CD1 4.02Å; Y107-L116 HydrophobicContact CE1-CD1 4.37Å; Y107-L116 HydrophobicContact CE2-CD1 4.03Å; Y107-L116 HydrophobicContact CG-CD1 4.23Å; R114-L116 HydrophobicContact CB-CD2 4.3Å; R114-L116 HydrophobicContact CG-CD2 4.02Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 2.87Å; L116-S118 VanDerWaalsContact O-N 3.16Å; L116-A136 WeakPolarHBondContact CA-O 3.26Å; L116-A136 HydrophobicContact CB-CB 4.07Å; L116-A136 WeakPolarHBondContact CB-O 3.46Å; L116-A136 HydrophobicContact CD1-CB 4.35Å; L116-A136 PolarHBondContact N-O 2.81Å; L116-F178 HydrophobicContact CD2-CE2 3.71Å; L116-F178 HydrophobicContact CD2-CZ 4.47Å; L116-Y185 HydrophobicContact CB-CE2 4.33Å; L116-Y185 VanDerWaalsContact CB-OH 3.29Å; L116-Y185 WeakPolarHBondContact CB-OH 3.38Å; L116-Y185 VanDerWaalsContact O-CE2 3.24Å; L116-Y185 WeakPolarHBondContact O-CE2 3.32Å
117S97.8Very high97.6Very high1 Ų146 Ų461%0.00723%0.225CC..  trans-8950-176.660.30000113.9H115 A119 I120 G134 A136H115-S117 PolarHBondContact CE1-O 2.82Å; H115-S117 PolarHBondContact NE2-O 3.35Å; S117-A119 VanDerWaalsContact C-N 3.29Å; S117-A119 PolarHBondContact O-N 2.87Å; S117-I120 WeakPolarHBondContact O-CG1 3.37Å; S117-G134 PolarHBondContact OG-O 3.24Å; S117-A136 PolarHBondContact N-O 3.28Å; S117-A136 PolarHBondContact OG-N 2.82Å; S117-A136 PolarHBondContact OG-O 2.63Å
118S97.5Very high97.5Very high12 Ų1249.2 Ų49.28%0.08425%0.246CC..SBendtrans-73.7-15.5-179.352.60000115.5H115 L116 S183H115-S118 VanDerWaalsContact CE1-CA 3.47Å; H115-S118 WeakPolarHBondContact CE1-CA 3.33Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 2.87Å; L116-S118 VanDerWaalsContact O-N 3.16Å; S118-S183 WeakPolarHBondContact OG-CB 3.35Å; S118-S183 PolarHBondContact OG-OG 2.97Å
119A98.1Very high97.5Very high0 Ų052 Ų520%025%0.253CS..EExtended strand (participates in β ladder)trans-130.896.2176.900000109.6S117 Y125 S183 H184 Y185S117-A119 VanDerWaalsContact C-N 3.29Å; S117-A119 PolarHBondContact O-N 2.87Å; A119-Y125 HydrophobicContact CB-CD1 4.24Å; A119-Y125 WeakPolarHBondContact CB-O 3.29Å; A119-Y125 WeakPolarHBondContact O-CD1 3.28Å; A119-S183 WeakPolarHBondContact CB-O 3.34Å; A119-S183 WeakPolarHBondContact CB-OG 3.38Å; A119-S183 PolarHBondContact N-O 3.28Å; A119-H184 CarbonylContact O-C 3.58Å; A119-H184 VanDerWaalsContact O-CA 3.31Å; A119-H184 WeakPolarHBondContact O-CA 3.35Å; A119-Y185 PolarHBondContact O-N 3.28Å
120I98.3Very high97.3Very high10 Ų1055.2 Ų55.25%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-104.3136.1179.7-58.7162.8000109.7L98 S117 K122 F123 Y125 Y185 M187L98-I120 HydrophobicContact CD1-CD1 4.2Å; L98-I120 HydrophobicContact CD2-CD1 3.97Å; L98-I120 HydrophobicContact CD2-CG1 4.1Å; L98-I120 HydrophobicContact CD2-CG2 3.92Å; S117-I120 WeakPolarHBondContact O-CG1 3.37Å; I120-K122 VanDerWaalsContact C-N 3.29Å; I120-K122 HydrophobicContact CG2-CB 4.14Å; I120-K122 PolarHBondContact O-N 3.28Å; I120-F123 HydrophobicContact CB-CD2 4.02Å; I120-F123 HydrophobicContact CD1-CD2 4.42Å; I120-F123 HydrophobicContact CD1-CE2 4.28Å; I120-F123 HydrophobicContact CG2-CD2 4.45Å; I120-F123 CarbonylContact O-C 3.6Å; I120-F123 PolarHBondContact O-N 3.02Å; I120-Y125 WeakPolarHBondContact O-CA 3.47Å; I120-Y125 PolarHBondContact O-N 3.06Å; I120-Y185 WeakPolarHBondContact CA-O 3.26Å; I120-M187 HydrophobicContact CG2-CB 3.86Å; I120-M187 HydrophobicContact CG2-CE 4.29Å
121D97.9Very high97.3Very high36 Ų3658.4 Ų58.419%0.19328%0.284CS..G310 helixtrans-55.5-38.7-177.478.4-43.6000113.7F123 K124 Y125 Y185 K186 M187D121-F123 PolarHBondContact O-N 3.31Å; D121-F123 VanDerWaalsContact O-N 3.12Å; D121-K124 WeakPolarHBondContact O-CA 3.31Å; D121-K124 PolarHBondContact O-N 3.17Å; D121-Y125 HydrophobicContact CB-CE1 3.74Å; D121-Y125 HydrophobicContact CB-CE2 4.32Å; D121-Y185 PolarHBondContact N-O 3.49Å; D121-K186 HydrophobicContact CB-CD 4.48Å; D121-K186 VanDerWaalsContact OD2-CD 3.31Å; D121-K186 WeakPolarHBondContact OD2-CD 3.34Å; D121-K186 VanDerWaalsContact OD2-CE 3.3Å; D121-K186 WeakPolarHBondContact OD2-CE 3.46Å; D121-K186 IonicContact OD2-NZ 2.6Å; D121-K186 PolarHBondContact OD2-NZ 3.41Å; D121-M187 PolarHBondContact OD1-N 2.83Å
122K96.7Very high97.3Very high118 Ų11855.3 Ų55.351%0.51326%0.26SS..G310 helixtrans-53.1-32.7174.7178.2172.9177.4178.50112.9I120 M187I120-K122 VanDerWaalsContact C-N 3.29Å; I120-K122 HydrophobicContact CG2-CB 4.14Å; I120-K122 PolarHBondContact O-N 3.28Å; K122-M187 HydrophobicContact CB-CB 4.35Å; K122-M187 HydrophobicContact CB-SD 4.24Å; K122-M187 HydrophobicContact CD-CE 4.13Å; K122-M187 HydrophobicContact CD-SD 3.2Å; K122-M187 WeakPolarHBondContact CD-SD 3.36Å; K122-M187 HydrophobicContact CG-SD 4.36Å
123F96.3Very high97.2Very high86 Ų8654.3 Ų54.338%0.37726%0.255SS..G310 helixtrans-101.322.6177.9-52.5-60.8000112.1I120 D121 Y125 R126 P128I120-F123 HydrophobicContact CB-CD2 4.02Å; I120-F123 HydrophobicContact CD1-CD2 4.42Å; I120-F123 HydrophobicContact CD1-CE2 4.28Å; I120-F123 HydrophobicContact CG2-CD2 4.45Å; I120-F123 CarbonylContact O-C 3.6Å; I120-F123 PolarHBondContact O-N 3.02Å; D121-F123 PolarHBondContact O-N 3.31Å; D121-F123 VanDerWaalsContact O-N 3.12Å; F123-Y125 PolarHBondContact O-N 3.03Å; F123-R126 WeakPolarHBondContact CB-O 3.23Å; F123-R126 WeakPolarHBondContact O-CB 3.3Å; F123-R126 PolarHBondContact O-N 3.16Å; F123-P128 HydrophobicContact CB-CG 4.38Å; F123-P128 HydrophobicContact CD1-CG 4.21Å; F123-P128 HydrophobicContact CD2-CG 4Å; F123-P128 HydrophobicContact CE2-CG 4.35Å; F123-P128 HydrophobicContact CG-CG 3.94Å
124K97.6Very high97.1Very high174 Ų17454.5 Ų54.576%0.75726%0.257SS*.THydrogen-bonded Turntrans53.839.3-174.9-55.5-179.6179.4-178.90111.8D121 R126D121-K124 WeakPolarHBondContact O-CA 3.31Å; D121-K124 PolarHBondContact O-N 3.17Å; K124-R126 PolarHBondContact O-N 3.39Å; K124-R126 VanDerWaalsContact O-N 3.13Å
125Y97.9Very high97Very high64 Ų6453.3 Ų53.325%0.25125%0.254SS..THydrogen-bonded Turntrans59.317.9-176-57.9-68.4000114.4E101 A119 I120 D121 F123 H180 H184E101-Y125 PolarHBondContact OE1-OH 3.41Å; E101-Y125 PolarHBondContact OE2-OH 3.36Å; A119-Y125 HydrophobicContact CB-CD1 4.24Å; A119-Y125 WeakPolarHBondContact CB-O 3.29Å; A119-Y125 WeakPolarHBondContact O-CD1 3.28Å; I120-Y125 WeakPolarHBondContact O-CA 3.47Å; I120-Y125 PolarHBondContact O-N 3.06Å; D121-Y125 HydrophobicContact CB-CE1 3.74Å; D121-Y125 HydrophobicContact CB-CE2 4.32Å; F123-Y125 PolarHBondContact O-N 3.03Å; Y125-H180 PolarHBondContact O-CD2 2.75Å; Y125-H180 PolarHBondContact O-NE2 2.78Å; Y125-H184 HydrophobicContact CD1-CB 4.15Å; Y125-H184 AromaticContact CD1-CD2 3.83Å; Y125-H184 AromaticContact CD1-CG 3.75Å; Y125-H184 HydrophobicContact CE1-CB 3.93Å; Y125-H184 AromaticContact CE1-CG 3.84Å; Y125-H184 AromaticContact CE1-ND1 3.91Å
126R97.3Very high97Very high186 Ų18653.3 Ų53.370%0.70225%0.254SS*.  trans-98.1138176.7-63.3-178.7-179-177.4-1.5110.3F123 K124 P128F123-R126 WeakPolarHBondContact CB-O 3.23Å; F123-R126 WeakPolarHBondContact O-CB 3.3Å; F123-R126 PolarHBondContact O-N 3.16Å; K124-R126 PolarHBondContact O-N 3.39Å; K124-R126 VanDerWaalsContact O-N 3.13Å; R126-P128 VanDerWaalsContact O-CD 3.24Å; R126-P128 WeakPolarHBondContact O-CD 3.24Å
127L97Very high97.1Very high58 Ų5853.3 Ų53.330%0.30425%0.254SS..  trans-69.4118.2169.6-172.870.5000108.8Y129 L132L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 WeakPolarHBondContact CD2-O 3.36Å; L127-Y129 WeakPolarHBondContact CG-O 3.44Å; L127-Y129 PolarHBondContact O-N 3.13Å; L127-L132 HydrophobicContact CD1-CB 4.12Å; L127-L132 HydrophobicContact CD1-CD2 4.03Å; L127-L132 HydrophobicContact CD1-CG 4.49Å
128P96.3Very high97.1Very high68 Ų6853.3 Ų53.344%0.44225%0.254SS..SBendtrans-60.1-37.4-177-27.436.5000114F123 R126 L132F123-P128 HydrophobicContact CB-CG 4.38Å; F123-P128 HydrophobicContact CD1-CG 4.21Å; F123-P128 HydrophobicContact CD2-CG 4Å; F123-P128 HydrophobicContact CE2-CG 4.35Å; F123-P128 HydrophobicContact CG-CG 3.94Å; R126-P128 VanDerWaalsContact O-CD 3.24Å; R126-P128 WeakPolarHBondContact O-CD 3.24Å; P128-L132 HydrophobicContact CG-CD2 4.07Å
129Y96.3Very high97.2Very high84 Ų8452.7 Ų52.733%0.32925%0.25SS..SBendtrans-159.2155.3176.853.4-94.7000111.4L127 H131 L132 D162L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 WeakPolarHBondContact CD2-O 3.36Å; L127-Y129 WeakPolarHBondContact CG-O 3.44Å; L127-Y129 PolarHBondContact O-N 3.13Å; Y129-H131 VanDerWaalsContact C-N 3.32Å; Y129-H131 HydrophobicContact CD2-CB 4.45Å; Y129-H131 AromaticContact CD2-CD2 3.49Å; Y129-H131 VanDerWaalsContact CD2-CD2 3.49Å; Y129-H131 WeakPolarHBondContact CD2-CD2 2.96Å; Y129-H131 AromaticContact CD2-CE1 3.22Å; Y129-H131 WeakPolarHBondContact CD2-CE1 3.43Å; Y129-H131 AromaticContact CD2-CG 3.53Å; Y129-H131 AromaticContact CD2-ND1 3.38Å; Y129-H131 WeakPolarHBondContact CD2-ND1 3.49Å; Y129-H131 AromaticContact CD2-NE2 3.31Å; Y129-H131 VanDerWaalsContact CD2-NE2 3.31Å; Y129-H131 WeakPolarHBondContact CD2-NE2 3.47Å; Y129-H131 AromaticContact CE2-CD2 3.27Å; Y129-H131 WeakPolarHBondContact CE2-CD2 3.3Å; Y129-H131 AromaticContact CE2-CE1 3.68Å; Y129-H131 AromaticContact CE2-CG 3.78Å; Y129-H131 AromaticContact CE2-NE2 3.22Å; Y129-H131 WeakPolarHBondContact CE2-NE2 3.49Å; Y129-H131 AromaticContact CG-CE1 3.91Å; Y129-H131 PolarHBondContact O-N 2.88Å; Y129-L132 HydrophobicContact CD2-CB 3.75Å; Y129-L132 VanDerWaalsContact CD2-N 3.28Å; Y129-L132 HydrophobicContact CE1-CB 4.37Å; Y129-L132 HydrophobicContact CE1-CD1 4.26Å; Y129-L132 VanDerWaalsContact CE2-CA 3.42Å; Y129-L132 HydrophobicContact CE2-CB 3.53Å; Y129-L132 HydrophobicContact CE2-CD1 4.13Å; Y129-L132 HydrophobicContact CE2-CG 4.43Å; Y129-L132 VanDerWaalsContact CE2-N 3.31Å; Y129-L132 HydrophobicContact CG-CB 4.32Å; Y129-L132 WeakPolarHBondContact O-CB 3.37Å; Y129-L132 PolarHBondContact O-N 2.89Å; Y129-L132 WeakPolarHBondContact OH-CD1 3.47Å; Y129-D162 VanDerWaalsContact CE2-OD1 3.28Å; Y129-D162 WeakPolarHBondContact CE2-OD1 3.4Å; Y129-D162 PolarHBondContact OH-OD1 3.23Å; Y129-D162 PolarHBondContact OH-OD2 2.8Å
130S94.8Very high97.2Very high95 Ų9553.7 Ų53.766%0.66426%0.257SS*.THydrogen-bonded Turntrans-65.6-28-167.857.50000115.3R177S130-R177 PolarHBondContact O-NH1 2.95Å; S130-R177 PolarHBondContact O-NH2 2.79Å
131H94.2Very high97.2Very high92 Ų9257.4 Ų57.443%0.42627%0.27SS..THydrogen-bonded Turntrans-90.93.2179.661-83.9000113.7Y129 F133 D162 S165Y129-H131 VanDerWaalsContact C-N 3.32Å; Y129-H131 HydrophobicContact CD2-CB 4.45Å; Y129-H131 AromaticContact CD2-CD2 3.49Å; Y129-H131 VanDerWaalsContact CD2-CD2 3.49Å; Y129-H131 WeakPolarHBondContact CD2-CD2 2.96Å; Y129-H131 AromaticContact CD2-CE1 3.22Å; Y129-H131 WeakPolarHBondContact CD2-CE1 3.43Å; Y129-H131 AromaticContact CD2-CG 3.53Å; Y129-H131 AromaticContact CD2-ND1 3.38Å; Y129-H131 WeakPolarHBondContact CD2-ND1 3.49Å; Y129-H131 AromaticContact CD2-NE2 3.31Å; Y129-H131 VanDerWaalsContact CD2-NE2 3.31Å; Y129-H131 WeakPolarHBondContact CD2-NE2 3.47Å; Y129-H131 AromaticContact CE2-CD2 3.27Å; Y129-H131 WeakPolarHBondContact CE2-CD2 3.3Å; Y129-H131 AromaticContact CE2-CE1 3.68Å; Y129-H131 AromaticContact CE2-CG 3.78Å; Y129-H131 AromaticContact CE2-NE2 3.22Å; Y129-H131 WeakPolarHBondContact CE2-NE2 3.49Å; Y129-H131 AromaticContact CG-CE1 3.91Å; Y129-H131 PolarHBondContact O-N 2.88Å; H131-F133 PolarHBondContact O-N 2.91Å; H131-D162 IonicContact CD2-OD1 3.28Å; H131-D162 PolarHBondContact CD2-OD1 3.35Å; H131-D162 IonicContact NE2-OD1 2.86Å; H131-S165 VanDerWaalsContact O-CB 3.32Å; H131-S165 WeakPolarHBondContact O-CB 3.49Å; H131-S165 PolarHBondContact O-OG 2.72Å; H131-S165 VanDerWaalsContact O-OG 3.05Å
132L96.6Very high97.2Very high25 Ų2563 Ų6313%0.13129%0.293CS..  trans-64.1126.7177.9179.866000110.6L127 P128 Y129 R177L127-L132 HydrophobicContact CD1-CB 4.12Å; L127-L132 HydrophobicContact CD1-CD2 4.03Å; L127-L132 HydrophobicContact CD1-CG 4.49Å; P128-L132 HydrophobicContact CG-CD2 4.07Å; Y129-L132 HydrophobicContact CD2-CB 3.75Å; Y129-L132 VanDerWaalsContact CD2-N 3.28Å; Y129-L132 HydrophobicContact CE1-CB 4.37Å; Y129-L132 HydrophobicContact CE1-CD1 4.26Å; Y129-L132 VanDerWaalsContact CE2-CA 3.42Å; Y129-L132 HydrophobicContact CE2-CB 3.53Å; Y129-L132 HydrophobicContact CE2-CD1 4.13Å; Y129-L132 HydrophobicContact CE2-CG 4.43Å; Y129-L132 VanDerWaalsContact CE2-N 3.31Å; Y129-L132 HydrophobicContact CG-CB 4.32Å; Y129-L132 WeakPolarHBondContact O-CB 3.37Å; Y129-L132 PolarHBondContact O-N 2.89Å; Y129-L132 WeakPolarHBondContact OH-CD1 3.47Å; L132-R177 PolarHBondContact O-NH2 2.97Å
133F97.5Very high97.3Very high0 Ų057.9 Ų57.90%027%0.271CS..  trans-134.622.3178.1-160.2-109.6000112.8P113 H115 H131 S137 M139 L164 I168 I175P113-F133 HydrophobicContact CB-CE2 4.26Å; P113-F133 HydrophobicContact CB-CZ 3.74Å; H115-F133 HydrophobicContact CB-CD2 3.74Å; H115-F133 HydrophobicContact CB-CE2 3.9Å; H131-F133 PolarHBondContact O-N 2.91Å; F133-S137 VanDerWaalsContact CZ-CB 3.49Å; F133-M139 HydrophobicContact CE1-SD 4.19Å; F133-M139 HydrophobicContact CZ-CG 4.45Å; F133-L164 HydrophobicContact CD1-CD2 3.92Å; F133-L164 HydrophobicContact CD1-CG 4.31Å; F133-L164 HydrophobicContact CE1-CD2 4.01Å; F133-I168 HydrophobicContact CD1-CD1 3.61Å; F133-I168 HydrophobicContact CD2-CD1 4.49Å; F133-I168 HydrophobicContact CE1-CD1 3.33Å; F133-I168 HydrophobicContact CE2-CD1 4.26Å; F133-I168 HydrophobicContact CG-CD1 4.21Å; F133-I168 HydrophobicContact CZ-CD1 3.69Å; F133-I175 HydrophobicContact CB-CD1 3.96Å; F133-I175 HydrophobicContact CD2-CB 4.23Å; F133-I175 HydrophobicContact CD2-CD1 3.52Å; F133-I175 HydrophobicContact CD2-CG1 3.62Å; F133-I175 HydrophobicContact CD2-CG2 3.6Å; F133-I175 HydrophobicContact CE2-CB 4.34Å; F133-I175 HydrophobicContact CE2-CD1 4.25Å; F133-I175 HydrophobicContact CE2-CG1 3.83Å; F133-I175 HydrophobicContact CE2-CG2 3.78Å; F133-I175 HydrophobicContact CG-CD1 3.89Å; F133-I175 HydrophobicContact CG-CG1 4.36Å
134G95.6Very high97.5Very high5 Ų553.8 Ų53.85%0.05225%0.253CS..  trans-88-169.1177.900000114H115 S117 A136 D161H115-G134 PolarHBondContact CD2-O 3.14Å; H115-G134 VanDerWaalsContact CD2-O 3.27Å; H115-G134 PolarHBondContact NE2-O 2.84Å; S117-G134 PolarHBondContact OG-O 3.24Å; G134-A136 PolarHBondContact O-N 3.5Å; G134-A136 VanDerWaalsContact O-N 3.14Å; G134-D161 WeakPolarHBondContact CA-OD2 3.46Å
135G97.7Very high97.5Very high6 Ų649.9 Ų49.96%0.06224%0.239CC..SBendtrans72.9-102.8-178.400000112.2R71 H94 D95R71-G135 PolarHBondContact NH2-O 3.24Å; H94-G135 CarbonylContact C-O 3.51Å; H94-G135 WeakPolarHBondContact CA-O 3.4Å; D95-G135 PolarHBondContact N-O 3.5Å; D95-G135 WeakPolarHBondContact OD2-CA 3.36Å
136A98.5Very high97.5Very high0 Ų049 Ų490%024%0.242CC..EExtended strand (participates in β ladder)trans-122125.7176.800000110.9F93 H94 L116 S117 G134 Y185F93-A136 CarbonylContact O-C 3.54Å; F93-A136 VanDerWaalsContact O-CA 3.3Å; F93-A136 WeakPolarHBondContact O-CA 3.4Å; H94-A136 VanDerWaalsContact CD2-CB 3.48Å; H94-A136 WeakPolarHBondContact CD2-CB 3.45Å; L116-A136 WeakPolarHBondContact CA-O 3.26Å; L116-A136 HydrophobicContact CB-CB 4.07Å; L116-A136 WeakPolarHBondContact CB-O 3.46Å; L116-A136 HydrophobicContact CD1-CB 4.35Å; L116-A136 PolarHBondContact N-O 2.81Å; S117-A136 PolarHBondContact N-O 3.28Å; S117-A136 PolarHBondContact OG-N 2.82Å; S117-A136 PolarHBondContact OG-O 2.63Å; G134-A136 PolarHBondContact O-N 3.5Å; G134-A136 VanDerWaalsContact O-N 3.14Å; A136-Y185 HydrophobicContact CB-CE1 4.12Å
137S98.6Very high97.6Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-140.3155.8178.464.30000111.9V92 F93 R114 F133V92-S137 CarbonylContact C-O 3.39Å; V92-S137 VanDerWaalsContact CA-O 3.26Å; V92-S137 WeakPolarHBondContact CA-O 3.36Å; F93-S137 PolarHBondContact N-O 3.36Å; F93-S137 PolarHBondContact O-N 3.38Å; R114-S137 CarbonylContact O-C 3.57Å; R114-S137 WeakPolarHBondContact O-CA 3.33Å; R114-S137 WeakPolarHBondContact O-CB 3.32Å; F133-S137 VanDerWaalsContact CZ-CB 3.49Å
138S98.7Very high97.7Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-125.8139.4175.174.90000112.8F91 S108 P113 R114F91-S138 CarbonylContact O-C 3.54Å; F91-S138 VanDerWaalsContact O-CA 3.26Å; F91-S138 WeakPolarHBondContact O-CA 3.15Å; S108-S138 PolarHBondContact O-OG 3.15Å; P113-S138 WeakPolarHBondContact CA-O 3.31Å; R114-S138 PolarHBondContact N-O 3.21Å; R114-S138 PolarHBondContact O-N 3.02Å
139M98.7Very high97.8Very high0 Ų035.2 Ų35.20%018%0.179CC..EExtended strand (participates in β ladder)trans-142.6134.7179.3-65.2-174.270.100109.9F91 F93 C109 P113 F133 H143 F144 V147 L164 I168F91-M139 PolarHBondContact N-O 3.05Å; F91-M139 PolarHBondContact O-N 3.42Å; F93-M139 HydrophobicContact CE2-CB 4.21Å; F93-M139 HydrophobicContact CE2-CG 4.4Å; F93-M139 HydrophobicContact CE2-SD 4.34Å; C109-M139 PolarHBondContact SG-O 2.96Å; P113-M139 HydrophobicContact CB-CE 4.31Å; P113-M139 HydrophobicContact CB-CG 3.89Å; P113-M139 HydrophobicContact CB-SD 4.45Å; P113-M139 HydrophobicContact CG-CE 3.82Å; P113-M139 HydrophobicContact CG-CG 4.23Å; F133-M139 HydrophobicContact CE1-SD 4.19Å; F133-M139 HydrophobicContact CZ-CG 4.45Å; M139-H143 HydrophobicContact CB-CB 4.16Å; M139-H143 HydrophobicContact CE-CB 3.7Å; M139-F144 HydrophobicContact CB-CB 4.47Å; M139-F144 HydrophobicContact CE-CD2 4.39Å; M139-F144 HydrophobicContact SD-CD2 3.97Å; M139-V147 HydrophobicContact CE-CG1 4.03Å; M139-V147 HydrophobicContact CE-CG2 3.74Å; M139-L164 HydrophobicContact SD-CD2 4.26Å; M139-I168 HydrophobicContact CE-CD1 4.23Å; M139-I168 HydrophobicContact CE-CG1 3.96Å; M139-I168 HydrophobicContact SD-CD1 4.17Å
140S98.7Very high97.9Very high21 Ų2131.2 Ų31.215%0.14716%0.164CC..EExtended strand (participates in β ladder)trans-63.415817072.80000109.6S89 C109 K142 H143 F144S89-S140 WeakPolarHBondContact O-CA 2.98Å; C109-S140 PolarHBondContact SG-N 3.44Å; C109-S140 VanDerWaalsContact SG-N 3.37Å; S140-K142 PolarHBondContact O-N 2.98Å; S140-H143 PolarHBondContact O-N 3.45Å; S140-H143 PolarHBondContact OG-CD2 3.33Å; S140-H143 VanDerWaalsContact OG-CD2 3.27Å; S140-H143 PolarHBondContact OG-CE1 2.67Å; S140-H143 PolarHBondContact OG-N 2.81Å; S140-H143 VanDerWaalsContact OG-N 3.12Å; S140-H143 PolarHBondContact OG-ND1 2.92Å; S140-H143 PolarHBondContact OG-NE2 3.01Å; S140-F144 PolarHBondContact O-N 3.28Å
141R98.7Very high98.1Very high88 Ų8826.8 Ų26.833%0.33213%0.132SC..Hα-helixtrans-50.1-43.8172.3-172.2178.3-179.3173.62.1111.6F79 N87 S89 F91 F144 I145F79-R141 HydrophobicContact CE2-CG 4.21Å; F79-R141 HydrophobicContact CZ-CG 4.19Å; N87-R141 PolarHBondContact OD1-NH1 2.77Å; S89-R141 PolarHBondContact O-N 2.87Å; F91-R141 HydrophobicContact CD2-CB 4.42Å; F91-R141 HydrophobicContact CE2-CB 3.89Å; F91-R141 HydrophobicContact CE2-CG 4.13Å; R141-F144 PolarHBondContact O-N 3.48Å; R141-I145 HydrophobicContact CG-CD1 3.83Å; R141-I145 HydrophobicContact CG-CG1 4.5Å; R141-I145 WeakPolarHBondContact O-CG1 3.17Å; R141-I145 PolarHBondContact O-N 3.02Å
142K98.5Very high98.3Very high153 Ų15322.6 Ų22.667%0.66511%0.113SC*.Hα-helixtrans-59.3-48.2177.9179.5-179.8176.5-1800111.3S140 S146S140-K142 PolarHBondContact O-N 2.98Å; K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.48Å; K142-S146 PolarHBondContact O-N 3.49Å; K142-S146 PolarHBondContact O-OG 2.87Å
143H98.8Very high98.4Very high10 Ų1021.6 Ų21.65%0.04611%0.108CC..Hα-helixtrans-60-49.8178.3-59.3159.8000110.5G110 S111 P113 M139 S140 I145 S146 V147 Y173G110-H143 PolarHBondContact O-CE1 3.35Å; G110-H143 VanDerWaalsContact O-CE1 3.29Å; S111-H143 VanDerWaalsContact C-CE1 3.46Å; S111-H143 PolarHBondContact O-CE1 3.43Å; S111-H143 PolarHBondContact O-NE2 2.86Å; P113-H143 HydrophobicContact CG-CB 4.19Å; M139-H143 HydrophobicContact CB-CB 4.16Å; M139-H143 HydrophobicContact CE-CB 3.7Å; S140-H143 PolarHBondContact O-N 3.45Å; S140-H143 PolarHBondContact OG-CD2 3.33Å; S140-H143 VanDerWaalsContact OG-CD2 3.27Å; S140-H143 PolarHBondContact OG-CE1 2.67Å; S140-H143 PolarHBondContact OG-N 2.81Å; S140-H143 VanDerWaalsContact OG-N 3.12Å; S140-H143 PolarHBondContact OG-ND1 2.92Å; S140-H143 PolarHBondContact OG-NE2 3.01Å; H143-I145 PolarHBondContact O-N 2.89Å; H143-S146 WeakPolarHBondContact CA-OG 3.4Å; H143-S146 PolarHBondContact O-N 2.81Å; H143-S146 VanDerWaalsContact O-N 3.12Å; H143-S146 PolarHBondContact O-OG 2.88Å; H143-V147 WeakPolarHBondContact O-CG1 3.42Å; H143-V147 PolarHBondContact O-N 3.2Å; H143-Y173 AromaticContact CD2-CE1 3.5Å; H143-Y173 VanDerWaalsContact CD2-CE1 3.5Å; H143-Y173 WeakPolarHBondContact CD2-CE1 3.39Å; H143-Y173 AromaticContact CD2-CZ 3.61Å; H143-Y173 AromaticContact NE2-CE1 3.78Å
144F98.8Very high98.4Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-64.1-39.6-174.6-162.2-114.4000113N76 F79 F93 M139 S140 R141 V147 N148 G149 Y150 L218N76-F144 WeakPolarHBondContact OD1-CZ 3.39Å; F79-F144 HydrophobicContact CB-CD1 4.14Å; F79-F144 HydrophobicContact CB-CE1 3.62Å; F79-F144 HydrophobicContact CB-CZ 4.5Å; F79-F144 AromaticContact CD1-CD1 3.85Å; F79-F144 HydrophobicContact CD1-CD1 3.85Å; F79-F144 AromaticContact CD1-CE1 3.85Å; F79-F144 HydrophobicContact CD1-CE1 3.85Å; F79-F144 AromaticContact CD2-CD1 3.3Å; F79-F144 HydrophobicContact CD2-CD1 3.3Å; F79-F144 AromaticContact CD2-CE1 3.74Å; F79-F144 HydrophobicContact CD2-CE1 3.74Å; F79-F144 HydrophobicContact CD2-CG 4.21Å; F79-F144 HydrophobicContact CE1-CD1 4.05Å; F79-F144 HydrophobicContact CE1-CE1 4.46Å; F79-F144 HydrophobicContact CE2-CB 4.18Å; F79-F144 AromaticContact CE2-CD1 3.53Å; F79-F144 HydrophobicContact CE2-CD1 3.53Å; F79-F144 HydrophobicContact CE2-CE1 4.36Å; F79-F144 HydrophobicContact CE2-CG 4.27Å; F79-F144 AromaticContact CG-CD1 3.49Å; F79-F144 HydrophobicContact CG-CD1 3.49Å; F79-F144 VanDerWaalsContact CG-CD1 3.49Å; F79-F144 AromaticContact CG-CE1 3.46Å; F79-F144 HydrophobicContact CG-CE1 3.46Å; F79-F144 VanDerWaalsContact CG-CE1 3.46Å; F79-F144 AromaticContact CZ-CD1 3.9Å; F79-F144 HydrophobicContact CZ-CD1 3.9Å; F93-F144 HydrophobicContact CD2-CE2 4.43Å; F93-F144 HydrophobicContact CE1-CE1 4.29Å; F93-F144 AromaticContact CE1-CE2 3.94Å; F93-F144 HydrophobicContact CE1-CE2 3.94Å; F93-F144 AromaticContact CE1-CZ 3.79Å; F93-F144 HydrophobicContact CE1-CZ 3.79Å; F93-F144 AromaticContact CE2-CD2 3.47Å; F93-F144 HydrophobicContact CE2-CD2 3.47Å; F93-F144 VanDerWaalsContact CE2-CD2 3.47Å; F93-F144 AromaticContact CE2-CE2 3.47Å; F93-F144 HydrophobicContact CE2-CE2 3.47Å; F93-F144 VanDerWaalsContact CE2-CE2 3.47Å; F93-F144 HydrophobicContact CE2-CG 4.17Å; F93-F144 HydrophobicContact CE2-CZ 4.16Å; F93-F144 HydrophobicContact CZ-CD1 4.01Å; F93-F144 AromaticContact CZ-CD2 3.39Å; F93-F144 HydrophobicContact CZ-CD2 3.39Å; F93-F144 AromaticContact CZ-CE1 3.81Å; F93-F144 HydrophobicContact CZ-CE1 3.81Å; F93-F144 AromaticContact CZ-CE2 3.17Å; F93-F144 HydrophobicContact CZ-CE2 3.17Å; F93-F144 AromaticContact CZ-CG 3.79Å; F93-F144 HydrophobicContact CZ-CG 3.79Å; F93-F144 AromaticContact CZ-CZ 3.38Å; F93-F144 HydrophobicContact CZ-CZ 3.38Å; M139-F144 HydrophobicContact CB-CB 4.47Å; M139-F144 HydrophobicContact CE-CD2 4.39Å; M139-F144 HydrophobicContact SD-CD2 3.97Å; S140-F144 PolarHBondContact O-N 3.28Å; R141-F144 PolarHBondContact O-N 3.48Å; F144-V147 HydrophobicContact CD2-CG2 4.49Å; F144-V147 WeakPolarHBondContact O-CG2 3.28Å; F144-N148 PolarHBondContact O-N 3.25Å; F144-G149 PolarHBondContact O-N 3.29Å; F144-Y150 AromaticContact CE2-CD2 3.71Å; F144-Y150 HydrophobicContact CE2-CD2 3.71Å; F144-Y150 AromaticContact CE2-CE2 3.87Å; F144-Y150 HydrophobicContact CE2-CE2 3.87Å; F144-Y150 AromaticContact CZ-CD2 3.83Å; F144-Y150 HydrophobicContact CZ-CD2 3.83Å; F144-Y150 HydrophobicContact CZ-CE2 4.27Å; F144-L218 HydrophobicContact CD1-CD1 3.83Å; F144-L218 HydrophobicContact CE1-CD1 4.03Å; F144-L218 HydrophobicContact CE1-CD2 3.94Å; F144-L218 HydrophobicContact CE1-CG 4.3Å
145I98.7Very high98.5Very high93 Ų9321.7 Ų21.748%0.47711%0.107SC..Hα-helixtrans-63.6-46.5172.5-68.2172000110.7F79 R141 H143 V147 N148F79-I145 HydrophobicContact CZ-CD1 4.39Å; F79-I145 HydrophobicContact CZ-CG1 3.94Å; R141-I145 HydrophobicContact CG-CD1 3.83Å; R141-I145 HydrophobicContact CG-CG1 4.5Å; R141-I145 WeakPolarHBondContact O-CG1 3.17Å; R141-I145 PolarHBondContact O-N 3.02Å; H143-I145 PolarHBondContact O-N 2.89Å; I145-V147 PolarHBondContact O-N 3.04Å; I145-N148 PolarHBondContact O-N 3.18Å
146S98.4Very high98.5Very high44 Ų4421.5 Ų21.531%0.30811%0.105SC..Hα-helixtrans-66-23.6-176.3700000114.5K142 H143 S171 Y173K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.48Å; K142-S146 PolarHBondContact O-N 3.49Å; K142-S146 PolarHBondContact O-OG 2.87Å; H143-S146 WeakPolarHBondContact CA-OG 3.4Å; H143-S146 PolarHBondContact O-N 2.81Å; H143-S146 VanDerWaalsContact O-N 3.12Å; H143-S146 PolarHBondContact O-OG 2.88Å; S146-S171 PolarHBondContact O-OG 2.79Å; S146-Y173 WeakPolarHBondContact OG-CE2 3.11Å
147V98.5Very high98.3Very high0 Ų028.2 Ų28.20%013%0.13CC..THydrogen-bonded Turntrans-92.42.4174.8-55.70000112.1M139 H143 F144 I145 G149 L164 R167 I168 W213M139-V147 HydrophobicContact CE-CG1 4.03Å; M139-V147 HydrophobicContact CE-CG2 3.74Å; H143-V147 WeakPolarHBondContact O-CG1 3.42Å; H143-V147 PolarHBondContact O-N 3.2Å; F144-V147 HydrophobicContact CD2-CG2 4.49Å; F144-V147 WeakPolarHBondContact O-CG2 3.28Å; I145-V147 PolarHBondContact O-N 3.04Å; V147-G149 PolarHBondContact O-N 3.32Å; V147-L164 HydrophobicContact CG2-CD1 3.83Å; V147-R167 HydrophobicContact CB-CB 3.99Å; V147-R167 WeakPolarHBondContact O-CD 3.36Å; V147-I168 HydrophobicContact CG1-CG1 4.08Å; V147-W213 PolarHBondContact O-NE1 2.91Å
148N98.8Very high98.2Very high24 Ų2428.7 Ų28.713%0.12814%0.135CC..THydrogen-bonded Turntrans57.533.7-172.2-167.529000113.4F144 I145 R167 W213 G217 L218 N219F144-N148 PolarHBondContact O-N 3.25Å; I145-N148 PolarHBondContact O-N 3.18Å; N148-R167 PolarHBondContact O-NH1 2.92Å; N148-W213 PolarHBondContact ND2-O 3.12Å; N148-G217 CarbonylContact O-C 3.59Å; N148-G217 WeakPolarHBondContact O-CA 3.08Å; N148-L218 PolarHBondContact O-N 2.84Å; N148-L218 PolarHBondContact OD1-N 3.45Å; N148-N219 VanDerWaalsContact ND2-CG 3.32Å; N148-N219 PolarHBondContact ND2-OD1 3.05Å; N148-N219 PolarHBondContact OD1-N 3.28Å; N148-N219 PolarHBondContact OD1-OD1 3.02Å
149G98.7Very high98.2Very high0 Ų029 Ų290%014%0.138CC..SBendtrans54-162.2-176.100000115.1F144 V147 R167F144-G149 PolarHBondContact O-N 3.29Å; V147-G149 PolarHBondContact O-N 3.32Å; G149-R167 WeakPolarHBondContact O-CD 3.43Å; G149-R167 PolarHBondContact O-NH1 3.46Å
150Y98.8Very high98.2Very high0 Ų029.5 Ų29.50%014%0.141CC..SBendtrans-69.1156.5172.7-74-91.9000111.2G72 M75 N76 F93 F144 L164 G217G72-Y150 VanDerWaalsContact CA-CB 3.48Å; G72-Y150 WeakPolarHBondContact O-CB 3.26Å; M75-Y150 HydrophobicContact CB-CD2 3.55Å; M75-Y150 HydrophobicContact CB-CE2 3.56Å; M75-Y150 HydrophobicContact CB-CG 4.42Å; M75-Y150 HydrophobicContact CG-CD2 4.18Å; M75-Y150 HydrophobicContact CG-CE2 3.79Å; N76-Y150 PolarHBondContact ND2-O 2.97Å; N76-Y150 PolarHBondContact OD1-N 3.14Å; F93-Y150 HydrophobicContact CB-CE2 4.43Å; F93-Y150 HydrophobicContact CD1-CE2 4.07Å; F93-Y150 HydrophobicContact CD2-CE2 4.13Å; F93-Y150 HydrophobicContact CE1-CE2 4.37Å; F93-Y150 HydrophobicContact CE2-CE2 4.44Å; F93-Y150 AromaticContact CG-CE2 3.95Å; F93-Y150 HydrophobicContact CG-CE2 3.95Å; F144-Y150 AromaticContact CE2-CD2 3.71Å; F144-Y150 HydrophobicContact CE2-CD2 3.71Å; F144-Y150 AromaticContact CE2-CE2 3.87Å; F144-Y150 HydrophobicContact CE2-CE2 3.87Å; F144-Y150 AromaticContact CZ-CD2 3.83Å; F144-Y150 HydrophobicContact CZ-CD2 3.83Å; F144-Y150 HydrophobicContact CZ-CE2 4.27Å; Y150-L164 HydrophobicContact CD1-CB 3.97Å; Y150-L164 HydrophobicContact CD1-CD2 3.86Å; Y150-L164 HydrophobicContact CD1-CG 4.4Å; Y150-L164 HydrophobicContact CD2-CD2 4.21Å; Y150-L164 HydrophobicContact CE1-CB 3.97Å; Y150-L164 HydrophobicContact CE1-CD2 3.31Å; Y150-L164 HydrophobicContact CE1-CG 4.21Å; Y150-L164 HydrophobicContact CE2-CD2 3.69Å; Y150-L164 HydrophobicContact CG-CD2 4.29Å; Y150-L164 WeakPolarHBondContact OH-CD2 3.42Å; Y150-G217 VanDerWaalsContact O-CA 3.32Å; Y150-G217 WeakPolarHBondContact O-CA 3.39Å
151S98.6Very high98.1Very high1 Ų129.4 Ų29.41%0.00714%0.139CC..  trans-65.8139.9164.5-179.50000110.8D153 Y154 R167 S216S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 3.03Å; S151-D153 WeakPolarHBondContact OG-CB 3.18Å; S151-D153 PolarHBondContact OG-N 3.39Å; S151-Y154 VanDerWaalsContact CB-CE2 3.48Å; S151-R167 VanDerWaalsContact CB-NH2 3.29Å; S151-S216 PolarHBondContact OG-OG 2.7Å
152N98.6Very high98.1Very high5 Ų526.8 Ų26.83%0.02713%0.131CC..SBendtrans-84.61.5174.5-63-37.3000112.6N70 K73 N76 S216 G217 N220N70-N152 PolarHBondContact ND2-O 3.39Å; K73-N152 HydrophobicContact CB-CB 4.45Å; K73-N152 HydrophobicContact CD-CB 4.17Å; K73-N152 HydrophobicContact CG-CB 4.33Å; N76-N152 PolarHBondContact ND2-OD1 3.04Å; N152-S216 PolarHBondContact N-OG 2.76Å; N152-G217 PolarHBondContact ND2-N 3.21Å; N152-G217 PolarHBondContact ND2-O 2.95Å; N152-N220 PolarHBondContact ND2-OD1 3.25Å
153D98.2Very high98.1Very high4 Ų419.5 Ų19.52%0.02110%0.1CC..  trans-93.2-9.3-165.8-59.6-18000114.3S151 W155 L205 R212 S216 I250S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 3.03Å; S151-D153 WeakPolarHBondContact OG-CB 3.18Å; S151-D153 PolarHBondContact OG-N 3.39Å; D153-W155 VanDerWaalsContact O-CD1 3.3Å; D153-W155 PolarHBondContact O-N 3.3Å; D153-L205 HydrophobicContact CB-CD1 4.19Å; D153-L205 HydrophobicContact CB-CD2 3.94Å; D153-L205 WeakPolarHBondContact O-CD1 3.42Å; D153-R212 VanDerWaalsContact CG-NH2 3.32Å; D153-R212 IonicContact OD1-CZ 3.24Å; D153-R212 IonicContact OD1-NH2 3.05Å; D153-R212 PolarHBondContact OD1-NH2 3.3Å; D153-R212 IonicContact OD2-CZ 3.82Å; D153-R212 VanDerWaalsContact OD2-CZ 3.28Å; D153-R212 IonicContact OD2-NE 3.7Å; D153-R212 PolarHBondContact OD2-NE 3.34Å; D153-R212 IonicContact OD2-NH2 2.79Å; D153-R212 PolarHBondContact OD2-NH2 2.73Å; D153-S216 WeakPolarHBondContact OD1-CB 3.36Å; D153-S216 PolarHBondContact OD1-OG 2.67Å; D153-S216 WeakPolarHBondContact OD2-CB 3.32Å; D153-S216 PolarHBondContact OD2-OG 3.46Å; D153-I250 HydrophobicContact CB-CD1 3.99Å; D153-I250 HydrophobicContact CB-CG2 4.03Å; D153-I250 VanDerWaalsContact O-CD1 3.25Å; D153-I250 WeakPolarHBondContact O-CD1 3.09Å
154Y98.2Very high98.1Very high1 Ų119 Ų190%0.00410%0.097CC..  trans-9088-172-69.4-89.3000111.8N70 S151 G158 G159 E160 D163 R202 L205 L206N70-Y154 PolarHBondContact OD1-O 2.86Å; S151-Y154 VanDerWaalsContact CB-CE2 3.48Å; Y154-G158 VanDerWaalsContact CD1-O 3.27Å; Y154-G158 WeakPolarHBondContact CD1-O 3.14Å; Y154-G159 VanDerWaalsContact CE1-C 3.42Å; Y154-E160 HydrophobicContact CD1-CB 4.4Å; Y154-E160 HydrophobicContact CD2-CB 3.88Å; Y154-E160 HydrophobicContact CG-CB 3.77Å; Y154-D163 HydrophobicContact CE2-CB 3.82Å; Y154-D163 WeakPolarHBondContact CE2-OD2 3.46Å; Y154-D163 PolarHBondContact OH-OD2 3.43Å; Y154-R202 HydrophobicContact CD1-CB 4.39Å; Y154-R202 HydrophobicContact CE1-CB 4.26Å; Y154-L205 HydrophobicContact CD1-CD1 3.95Å; Y154-L205 HydrophobicContact CE1-CB 3.83Å; Y154-L205 HydrophobicContact CE1-CD1 3.99Å; Y154-L205 HydrophobicContact CG-CD1 4.33Å; Y154-L206 WeakPolarHBondContact OH-CD2 3.32Å; Y154-L206 PolarHBondContact OH-N 2.97Å
155W97.3Very high98.1Very high6 Ų619.6 Ų19.62%0.02310%0.101CC..  trans-88.2109.4174.3-58.891.9000111.1T68 N70 K73 D153 N199 T241 E243 R247T68-W155 HydrophobicContact CG2-CB 4.25Å; N70-W155 HydrophobicContact CB-CD2 4.27Å; N70-W155 HydrophobicContact CB-CE3 3.77Å; N70-W155 HydrophobicContact CB-CH2 4.18Å; N70-W155 HydrophobicContact CB-CZ3 3.75Å; N70-W155 VanDerWaalsContact ND2-CE2 3.31Å; N70-W155 VanDerWaalsContact ND2-CZ2 3.35Å; N70-W155 WeakPolarHBondContact ND2-CZ2 3.16Å; K73-W155 HydrophobicContact CD-CH2 4.28Å; K73-W155 HydrophobicContact CD-CZ2 4.36Å; D153-W155 VanDerWaalsContact O-CD1 3.3Å; D153-W155 PolarHBondContact O-N 3.3Å; W155-N199 WeakPolarHBondContact O-CB 3.36Å; W155-N199 PolarHBondContact O-ND2 3.46Å; W155-T241 VanDerWaalsContact CH2-OG1 3.26Å; W155-T241 WeakPolarHBondContact CH2-OG1 3.27Å; W155-T241 WeakPolarHBondContact CZ3-OG1 3.06Å; W155-E243 HydrophobicContact CD2-CG 4.07Å; W155-E243 HydrophobicContact CE3-CB 4.14Å; W155-E243 HydrophobicContact CE3-CG 3.65Å; W155-E243 VanDerWaalsContact CH2-CA 3.49Å; W155-E243 HydrophobicContact CH2-CB 3.81Å; W155-E243 HydrophobicContact CH2-CG 4.15Å; W155-E243 HydrophobicContact CZ2-CB 4.48Å; W155-E243 HydrophobicContact CZ3-CB 3.6Å; W155-E243 HydrophobicContact CZ3-CG 3.67Å; W155-R247 VanDerWaalsContact CB-CZ 3.47Å; W155-R247 VanDerWaalsContact CB-NH2 3.32Å; W155-R247 HydrophobicContact CD2-CG 4.18Å; W155-R247 HydrophobicContact CG-CG 3.94Å
156G96.8Very high98.1Very high2 Ų217.1 Ų17.12%0.0219%0.086CC..SBendtrans94.4-173-171.700000112.1F69 N196 P197F69-G156 WeakPolarHBondContact O-CA 3.4Å; F69-G156 PolarHBondContact O-N 2.98Å; G156-N196 VanDerWaalsContact C-OD1 3.31Å; G156-P197 CarbonylContact C-O 3.56Å; G156-P197 WeakPolarHBondContact CA-O 3.43Å
157W96.2Very high98.1Very high141 Ų14115 Ų1553%0.5347%0.071SC..BIsolated β-bridgetrans-80.3126.8-169.9-178.477.3000112.9N196 P197 V198 N199W157-N196 PolarHBondContact N-OD1 3.37Å; W157-N196 VanDerWaalsContact N-OD1 3.12Å; W157-P197 PolarHBondContact N-O 2.66Å; W157-V198 HydrophobicContact CE3-CG2 3.77Å; W157-V198 HydrophobicContact CZ3-CG2 4.25Å; W157-N199 PolarHBondContact O-N 2.9Å
158G96.4Very high98.1Very high10 Ų1015.1 Ų15.110%0.1037%0.072CC..SBendtrans111.9142.8159.100000114.5Y154 E160 R202Y154-G158 VanDerWaalsContact CD1-O 3.27Å; Y154-G158 WeakPolarHBondContact CD1-O 3.14Å; G158-E160 WeakPolarHBondContact CA-OE2 3.47Å; G158-E160 PolarHBondContact N-OE2 2.99Å; G158-R202 WeakPolarHBondContact O-CB 3.33Å
159G97.5Very high98.1Very high6 Ų617.4 Ų17.46%0.0629%0.09CC..SBendtrans93.5-17.7172.400000115.3Y154 D162 D163Y154-G159 VanDerWaalsContact CE1-C 3.42Å; G159-D162 PolarHBondContact O-N 3.04Å; G159-D163 WeakPolarHBondContact O-CB 3.48Å; G159-D163 PolarHBondContact O-N 3.25Å
160E98.3Very high98Very high11 Ų1121.6 Ų21.65%0.05111%0.109CC..Hα-helixtrans-66.9-39.7-178.573.2-76.7-165.600113R71 Y154 G158 L164R71-E160 HydrophobicContact CB-CG 4.36Å; R71-E160 WeakPolarHBondContact CD-OE1 3.35Å; Y154-E160 HydrophobicContact CD1-CB 4.4Å; Y154-E160 HydrophobicContact CD2-CB 3.88Å; Y154-E160 HydrophobicContact CG-CB 3.77Å; G158-E160 WeakPolarHBondContact CA-OE2 3.47Å; G158-E160 PolarHBondContact N-OE2 2.99Å; E160-L164 PolarHBondContact O-N 3.12Å
161D98Very high98Very high19 Ų1923.2 Ų23.210%0.10212%0.12CC..Hα-helixtrans-74.2-32.3177.6-69.7-47000111.8R71 G134 L164 S165R71-D161 IonicContact CZ-OD1 2.8Å; R71-D161 IonicContact CZ-OD2 3.79Å; R71-D161 VanDerWaalsContact NH1-CG 3.31Å; R71-D161 IonicContact NH1-OD1 2.72Å; R71-D161 PolarHBondContact NH1-OD1 3.49Å; R71-D161 IonicContact NH1-OD2 3.03Å; R71-D161 PolarHBondContact NH1-OD2 2.98Å; G134-D161 WeakPolarHBondContact CA-OD2 3.46Å; D161-L164 PolarHBondContact O-N 2.65Å; D161-S165 WeakPolarHBondContact O-CB 3.18Å; D161-S165 PolarHBondContact O-N 3.3Å
162D98.3Very high98Very high32 Ų3226.5 Ų26.517%0.17115%0.154CC..Hα-helixtrans-71.4-37.6176.1-58.7-47.1000110.9Y129 H131 G159 S165 W166 L206Y129-D162 VanDerWaalsContact CE2-OD1 3.28Å; Y129-D162 WeakPolarHBondContact CE2-OD1 3.4Å; Y129-D162 PolarHBondContact OH-OD1 3.23Å; Y129-D162 PolarHBondContact OH-OD2 2.8Å; H131-D162 IonicContact CD2-OD1 3.28Å; H131-D162 PolarHBondContact CD2-OD1 3.35Å; H131-D162 IonicContact NE2-OD1 2.86Å; G159-D162 PolarHBondContact O-N 3.04Å; D162-S165 PolarHBondContact O-N 3.17Å; D162-W166 WeakPolarHBondContact O-CB 3.41Å; D162-W166 PolarHBondContact O-N 2.79Å; D162-L206 HydrophobicContact CB-CD2 3.95Å
163D98.7Very high97.9Very high1 Ų128.5 Ų28.51%0.00516%0.162CC..Hα-helixtrans-62.2-49.2170.3-170.5-33.5000110Y154 G159 S165 W166 R167 L206Y154-D163 HydrophobicContact CE2-CB 3.82Å; Y154-D163 WeakPolarHBondContact CE2-OD2 3.46Å; Y154-D163 PolarHBondContact OH-OD2 3.43Å; G159-D163 WeakPolarHBondContact O-CB 3.48Å; G159-D163 PolarHBondContact O-N 3.25Å; D163-S165 PolarHBondContact O-N 3.31Å; D163-W166 CarbonylContact O-C 3.6Å; D163-W166 WeakPolarHBondContact O-CA 3.2Å; D163-W166 WeakPolarHBondContact O-CB 3.44Å; D163-W166 PolarHBondContact O-N 3.16Å; D163-R167 WeakPolarHBondContact O-CG 3.5Å; D163-R167 PolarHBondContact O-N 2.92Å; D163-R167 IonicContact OD1-CZ 3.96Å; D163-R167 IonicContact OD1-NE 3.01Å; D163-R167 PolarHBondContact OD1-NE 3.46Å; D163-R167 IonicContact OD1-NH2 2.68Å; D163-R167 IonicContact OD2-NH2 3.85Å; D163-L206 HydrophobicContact CB-CD2 4.17Å
164L98.7Very high97.9Very high0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-59-44.7176.5-17863.2000112.3F133 M139 V147 Y150 E160 D161 W166 R167 I168F133-L164 HydrophobicContact CD1-CD2 3.92Å; F133-L164 HydrophobicContact CD1-CG 4.31Å; F133-L164 HydrophobicContact CE1-CD2 4.01Å; M139-L164 HydrophobicContact SD-CD2 4.26Å; V147-L164 HydrophobicContact CG2-CD1 3.83Å; Y150-L164 HydrophobicContact CD1-CB 3.97Å; Y150-L164 HydrophobicContact CD1-CD2 3.86Å; Y150-L164 HydrophobicContact CD1-CG 4.4Å; Y150-L164 HydrophobicContact CD2-CD2 4.21Å; Y150-L164 HydrophobicContact CE1-CB 3.97Å; Y150-L164 HydrophobicContact CE1-CD2 3.31Å; Y150-L164 HydrophobicContact CE1-CG 4.21Å; Y150-L164 HydrophobicContact CE2-CD2 3.69Å; Y150-L164 HydrophobicContact CG-CD2 4.29Å; Y150-L164 WeakPolarHBondContact OH-CD2 3.42Å; E160-L164 PolarHBondContact O-N 3.12Å; D161-L164 PolarHBondContact O-N 2.65Å; L164-W166 VanDerWaalsContact C-N 3.25Å; L164-W166 PolarHBondContact O-N 3.14Å; L164-R167 WeakPolarHBondContact O-CB 3.3Å; L164-R167 PolarHBondContact O-N 2.68Å; L164-R167 VanDerWaalsContact O-N 3.12Å; L164-I168 HydrophobicContact CG-CD1 4.06Å; L164-I168 HydrophobicContact CG-CG1 4.48Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 2.95Å
165S98.5Very high97.9Very high12 Ų1236.2 Ų36.28%0.08420%0.197CC..Hα-helixtrans-57-41.7175174.10000111.5H131 D161 D162 D163 I168 S169 I175H131-S165 VanDerWaalsContact O-CB 3.32Å; H131-S165 WeakPolarHBondContact O-CB 3.49Å; H131-S165 PolarHBondContact O-OG 2.72Å; H131-S165 VanDerWaalsContact O-OG 3.05Å; D161-S165 WeakPolarHBondContact O-CB 3.18Å; D161-S165 PolarHBondContact O-N 3.3Å; D162-S165 PolarHBondContact O-N 3.17Å; D163-S165 PolarHBondContact O-N 3.31Å; S165-I168 PolarHBondContact O-N 2.64Å; S165-S169 PolarHBondContact O-N 2.68Å; S165-I175 VanDerWaalsContact OG-CD1 3.26Å; S165-I175 WeakPolarHBondContact OG-CD1 3.49Å
166W98.4Very high97.9Very high41 Ų4138.3 Ų38.316%0.15521%0.207CC..Hα-helixtrans-63.7-45.1174.7178.882.2000111.8D162 D163 L164 I168 S169 Q170 R209 L210 W213D162-W166 WeakPolarHBondContact O-CB 3.41Å; D162-W166 PolarHBondContact O-N 2.79Å; D163-W166 CarbonylContact O-C 3.6Å; D163-W166 WeakPolarHBondContact O-CA 3.2Å; D163-W166 WeakPolarHBondContact O-CB 3.44Å; D163-W166 PolarHBondContact O-N 3.16Å; L164-W166 VanDerWaalsContact C-N 3.25Å; L164-W166 PolarHBondContact O-N 3.14Å; W166-I168 VanDerWaalsContact C-N 3.35Å; W166-I168 PolarHBondContact O-N 3.41Å; W166-S169 WeakPolarHBondContact O-CB 3.47Å; W166-S169 PolarHBondContact O-N 2.91Å; W166-Q170 HydrophobicContact CD2-CG 3.73Å; W166-Q170 VanDerWaalsContact CE2-CG 3.42Å; W166-Q170 HydrophobicContact CE3-CG 3.87Å; W166-Q170 HydrophobicContact CG-CG 4.48Å; W166-Q170 HydrophobicContact CH2-CG 3.41Å; W166-Q170 VanDerWaalsContact CH2-CG 3.41Å; W166-Q170 VanDerWaalsContact CZ2-CD 3.49Å; W166-Q170 HydrophobicContact CZ2-CG 3.29Å; W166-Q170 HydrophobicContact CZ3-CG 3.72Å; W166-Q170 WeakPolarHBondContact O-CG 3.32Å; W166-Q170 PolarHBondContact O-N 3.49Å; W166-R209 HydrophobicContact CD2-CG 3.77Å; W166-R209 HydrophobicContact CE3-CB 4.3Å; W166-R209 HydrophobicContact CE3-CG 3.81Å; W166-R209 HydrophobicContact CG-CG 4.3Å; W166-R209 HydrophobicContact CH2-CG 4.45Å; W166-R209 HydrophobicContact CZ2-CG 4.38Å; W166-R209 HydrophobicContact CZ3-CG 4.17Å; W166-L210 VanDerWaalsContact CH2-CA 3.47Å; W166-L210 HydrophobicContact CH2-CB 3.89Å; W166-L210 HydrophobicContact CH2-CD1 3.65Å; W166-L210 HydrophobicContact CH2-CG 4.39Å; W166-L210 HydrophobicContact CZ2-CB 4.04Å; W166-L210 HydrophobicContact CZ2-CD1 3.94Å; W166-W213 AromaticContact CH2-CE3 3.71Å; W166-W213 HydrophobicContact CH2-CE3 3.71Å; W166-W213 HydrophobicContact CH2-CZ3 4.28Å; W166-W213 HydrophobicContact CZ3-CB 3.97Å; W166-W213 AromaticContact CZ3-CD2 3.95Å; W166-W213 HydrophobicContact CZ3-CD2 3.95Å; W166-W213 AromaticContact CZ3-CE3 3.58Å; W166-W213 HydrophobicContact CZ3-CE3 3.58Å; W166-W213 HydrophobicContact CZ3-CG 4.15Å; W166-W213 HydrophobicContact CZ3-CZ3 4.35Å
167R98.5Very high98Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-60.3-41.6177-64.2173.7-174.6-139-7.7112.3V147 N148 G149 S151 D163 L164 S169 Q170 S171 W213 S216V147-R167 HydrophobicContact CB-CB 3.99Å; V147-R167 WeakPolarHBondContact O-CD 3.36Å; N148-R167 PolarHBondContact O-NH1 2.92Å; G149-R167 WeakPolarHBondContact O-CD 3.43Å; G149-R167 PolarHBondContact O-NH1 3.46Å; S151-R167 VanDerWaalsContact CB-NH2 3.29Å; D163-R167 WeakPolarHBondContact O-CG 3.5Å; D163-R167 PolarHBondContact O-N 2.92Å; D163-R167 IonicContact OD1-CZ 3.96Å; D163-R167 IonicContact OD1-NE 3.01Å; D163-R167 PolarHBondContact OD1-NE 3.46Å; D163-R167 IonicContact OD1-NH2 2.68Å; D163-R167 IonicContact OD2-NH2 3.85Å; L164-R167 WeakPolarHBondContact O-CB 3.3Å; L164-R167 PolarHBondContact O-N 2.68Å; L164-R167 VanDerWaalsContact O-N 3.12Å; R167-S169 VanDerWaalsContact C-N 3.3Å; R167-S169 PolarHBondContact O-N 3.05Å; R167-Q170 PolarHBondContact O-N 2.82Å; R167-Q170 VanDerWaalsContact O-N 3.15Å; R167-S171 PolarHBondContact O-N 2.94Å; R167-S171 PolarHBondContact O-OG 3.23Å; R167-W213 HydrophobicContact CG-CD2 4.27Å; R167-W213 HydrophobicContact CG-CG 3.99Å; R167-S216 PolarHBondContact NH1-O 2.88Å; R167-S216 PolarHBondContact NH2-O 3.04Å
168I98.6Very high98Very high1 Ų137.1 Ų37.11%0.00520%0.203CC..Hα-helixtrans-54.5-49174.3-74166.5000110.5P113 F133 M139 V147 L164 S165 W166 S171 Y173 I175P113-I168 HydrophobicContact CB-CD1 3.87Å; P113-I168 HydrophobicContact CB-CG1 4.33Å; P113-I168 HydrophobicContact CB-CG2 4.22Å; P113-I168 HydrophobicContact CG-CD1 4.22Å; P113-I168 HydrophobicContact CG-CG1 4.12Å; P113-I168 HydrophobicContact CG-CG2 3.91Å; F133-I168 HydrophobicContact CD1-CD1 3.61Å; F133-I168 HydrophobicContact CD2-CD1 4.49Å; F133-I168 HydrophobicContact CE1-CD1 3.33Å; F133-I168 HydrophobicContact CE2-CD1 4.26Å; F133-I168 HydrophobicContact CG-CD1 4.21Å; F133-I168 HydrophobicContact CZ-CD1 3.69Å; M139-I168 HydrophobicContact CE-CD1 4.23Å; M139-I168 HydrophobicContact CE-CG1 3.96Å; M139-I168 HydrophobicContact SD-CD1 4.17Å; V147-I168 HydrophobicContact CG1-CG1 4.08Å; L164-I168 HydrophobicContact CG-CD1 4.06Å; L164-I168 HydrophobicContact CG-CG1 4.48Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 2.95Å; S165-I168 PolarHBondContact O-N 2.64Å; W166-I168 VanDerWaalsContact C-N 3.35Å; W166-I168 PolarHBondContact O-N 3.41Å; I168-S171 PolarHBondContact O-N 3.4Å; I168-Y173 PolarHBondContact O-N 3.02Å; I168-Y173 VanDerWaalsContact O-N 3.12Å; I168-I175 HydrophobicContact CD1-CG1 4.4Å; I168-I175 HydrophobicContact CG2-CG1 4Å
169S98Very high98Very high73 Ų7345 Ų4551%0.5123%0.23SC..Hα-helixtrans-64.6-40.2177.3173.90000112.5S165 W166 R167 S171 G172S165-S169 PolarHBondContact O-N 2.68Å; W166-S169 WeakPolarHBondContact O-CB 3.47Å; W166-S169 PolarHBondContact O-N 2.91Å; R167-S169 VanDerWaalsContact C-N 3.3Å; R167-S169 PolarHBondContact O-N 3.05Å; S169-S171 VanDerWaalsContact C-N 3.29Å; S169-S171 PolarHBondContact O-N 3.45Å; S169-G172 PolarHBondContact O-N 3.2Å; S169-G172 VanDerWaalsContact O-N 3.14Å
170Q97.8Very high98Very high88 Ų8850 Ų5041%0.41125%0.251SS..Hα-helixtrans-67.3-29.8178.2-63.4-41-81.600113.2W166 R167 G172 W213W166-Q170 HydrophobicContact CD2-CG 3.73Å; W166-Q170 VanDerWaalsContact CE2-CG 3.42Å; W166-Q170 HydrophobicContact CE3-CG 3.87Å; W166-Q170 HydrophobicContact CG-CG 4.48Å; W166-Q170 HydrophobicContact CH2-CG 3.41Å; W166-Q170 VanDerWaalsContact CH2-CG 3.41Å; W166-Q170 VanDerWaalsContact CZ2-CD 3.49Å; W166-Q170 HydrophobicContact CZ2-CG 3.29Å; W166-Q170 HydrophobicContact CZ3-CG 3.72Å; W166-Q170 WeakPolarHBondContact O-CG 3.32Å; W166-Q170 PolarHBondContact O-N 3.49Å; R167-Q170 PolarHBondContact O-N 2.82Å; R167-Q170 VanDerWaalsContact O-N 3.15Å; Q170-G172 PolarHBondContact O-N 2.76Å; Q170-W213 HydrophobicContact CB-CE3 4.31Å; Q170-W213 HydrophobicContact CB-CH2 3.5Å; Q170-W213 VanDerWaalsContact CB-CH2 3.5Å; Q170-W213 HydrophobicContact CB-CZ2 4.44Å; Q170-W213 HydrophobicContact CB-CZ3 3.43Å; Q170-W213 VanDerWaalsContact CB-CZ3 3.43Å; Q170-W213 HydrophobicContact CG-CE3 4.47Å; Q170-W213 HydrophobicContact CG-CH2 4.47Å; Q170-W213 HydrophobicContact CG-CZ3 3.96Å
171S98Very high97.8Very high33 Ų3352.6 Ų52.623%0.23127%0.274CS..THydrogen-bonded Turntrans-81.58.8175-610000113.2S146 R167 I168 S169 Y173S146-S171 PolarHBondContact O-OG 2.79Å; R167-S171 PolarHBondContact O-N 2.94Å; R167-S171 PolarHBondContact O-OG 3.23Å; I168-S171 PolarHBondContact O-N 3.4Å; S169-S171 VanDerWaalsContact C-N 3.29Å; S169-S171 PolarHBondContact O-N 3.45Å; S171-Y173 WeakPolarHBondContact O-CE2 3.47Å
172G98Very high97.7Very high70 Ų7052.3 Ų52.372%0.72227%0.273SS*.THydrogen-bonded Turntrans81.511.8174.400000114.9S169 Q170S169-G172 PolarHBondContact O-N 3.2Å; S169-G172 VanDerWaalsContact O-N 3.14Å; Q170-G172 PolarHBondContact O-N 2.76Å
173Y98.4Very high97.6Very high47 Ų4750.9 Ų50.918%0.18427%0.265CS..  trans-96.8158.8176.9-58.2-70.8000111.7P113 H143 S146 I168 S171P113-Y173 HydrophobicContact CG-CG 4.48Å; H143-Y173 AromaticContact CD2-CE1 3.5Å; H143-Y173 VanDerWaalsContact CD2-CE1 3.5Å; H143-Y173 WeakPolarHBondContact CD2-CE1 3.39Å; H143-Y173 AromaticContact CD2-CZ 3.61Å; H143-Y173 AromaticContact NE2-CE1 3.78Å; S146-Y173 WeakPolarHBondContact OG-CE2 3.11Å; I168-Y173 PolarHBondContact O-N 3.02Å; I168-Y173 VanDerWaalsContact O-N 3.12Å; S171-Y173 WeakPolarHBondContact O-CE2 3.47Å
174K97.6Very high97.6Very high130 Ų13052.9 Ų52.957%0.56527%0.274SS*.  trans-108153.4169.258.9178.6-179.1-178.80110.3N112 E176N112-K174 HydrophobicContact CB-CG 4.21Å; N112-K174 VanDerWaalsContact CB-O 3.32Å; N112-K174 WeakPolarHBondContact CB-O 3.27Å; N112-K174 VanDerWaalsContact CG-CG 3.47Å; N112-K174 WeakPolarHBondContact ND2-CE 3.44Å; N112-K174 WeakPolarHBondContact OD1-CG 3.48Å; N112-K174 PolarHBondContact OD1-N 3.17Å; K174-E176 WeakPolarHBondContact CE-OE1 3.11Å; K174-E176 HydrophobicContact CG-CG 4.49Å; K174-E176 IonicContact NZ-OE1 3.56Å
175I98.4Very high97.6Very high37 Ų3752.9 Ų52.919%0.1927%0.274CS..  trans-83.1120.2169.8-70.2167.1000108.5H115 F133 S165 I168 R177H115-I175 HydrophobicContact CB-CG2 3.91Å; F133-I175 HydrophobicContact CB-CD1 3.96Å; F133-I175 HydrophobicContact CD2-CB 4.23Å; F133-I175 HydrophobicContact CD2-CD1 3.52Å; F133-I175 HydrophobicContact CD2-CG1 3.62Å; F133-I175 HydrophobicContact CD2-CG2 3.6Å; F133-I175 HydrophobicContact CE2-CB 4.34Å; F133-I175 HydrophobicContact CE2-CD1 4.25Å; F133-I175 HydrophobicContact CE2-CG1 3.83Å; F133-I175 HydrophobicContact CE2-CG2 3.78Å; F133-I175 HydrophobicContact CG-CD1 3.89Å; F133-I175 HydrophobicContact CG-CG1 4.36Å; S165-I175 VanDerWaalsContact OG-CD1 3.26Å; S165-I175 WeakPolarHBondContact OG-CD1 3.49Å; I168-I175 HydrophobicContact CD1-CG1 4.4Å; I168-I175 HydrophobicContact CG2-CG1 4Å; I175-R177 HydrophobicContact CG2-CG 4.49Å
176E97.9Very high97.6Very high50 Ų5056.6 Ų56.623%0.23429%0.289CS..EExtended strand (participates in β ladder)trans-93.6149.6172-70.7-177.5179.100111.2N112 P113 R114 H115 K174N112-E176 HydrophobicContact CB-CG 3.77Å; N112-E176 PolarHBondContact ND2-OE1 3.08Å; P113-E176 PolarHBondContact O-N 3.29Å; R114-E176 CarbonylContact C-O 3.48Å; R114-E176 VanDerWaalsContact CA-O 3.28Å; R114-E176 WeakPolarHBondContact CA-O 3.31Å; R114-E176 HydrophobicContact CG-CB 4.38Å; R114-E176 WeakPolarHBondContact CG-O 3.48Å; H115-E176 PolarHBondContact N-O 2.77Å; K174-E176 WeakPolarHBondContact CE-OE1 3.11Å; K174-E176 HydrophobicContact CG-CG 4.49Å; K174-E176 IonicContact NZ-OE1 3.56Å
177R97.6Very high97.5Very high80 Ų8055.8 Ų55.830%0.30229%0.287SS..EExtended strand (participates in β ladder)trans-136.5146.5176.5-72.8172-171.7115-4.6108.4H115 S130 L132 I175H115-R177 HydrophobicContact CB-CG 3.84Å; H115-R177 PolarHBondContact ND1-NE 2.88Å; S130-R177 PolarHBondContact O-NH1 2.95Å; S130-R177 PolarHBondContact O-NH2 2.79Å; L132-R177 PolarHBondContact O-NH2 2.97Å; I175-R177 HydrophobicContact CG2-CG 4.49Å
178F96.8Very high97.5Very high39 Ų3956.6 Ų56.617%0.17129%0.291CS..  trans-66165.5167.9-63.4-73.5000110.1I105 L106 R114 L116 H180 D182I105-F178 HydrophobicContact CB-CD2 4.48Å; I105-F178 HydrophobicContact CB-CE2 4.32Å; I105-F178 HydrophobicContact CG2-CD2 3.99Å; I105-F178 HydrophobicContact CG2-CE2 3.68Å; L106-F178 HydrophobicContact CB-CE1 4.27Å; L106-F178 HydrophobicContact CB-CZ 3.87Å; L106-F178 HydrophobicContact CG-CE1 4.41Å; L106-F178 HydrophobicContact CG-CZ 4.47Å; L106-F178 WeakPolarHBondContact O-CZ 3.45Å; R114-F178 HydrophobicContact CG-CE2 4.33Å; L116-F178 HydrophobicContact CD2-CE2 3.71Å; L116-F178 HydrophobicContact CD2-CZ 4.47Å; F178-H180 PolarHBondContact O-N 3.24Å; F178-D182 HydrophobicContact CB-CB 4.43Å
179R96.8Very high97.3Very high176 Ų17661.7 Ų61.766%0.66432%0.324SS*.  trans-56.6144.8171.3-60-176.5-58169.14.1108.8A181 D182 S183R179-A181 VanDerWaalsContact C-N 3.3Å; R179-A181 PolarHBondContact O-N 3.32Å; R179-D182 IonicContact CZ-OD2 2.71Å; R179-D182 IonicContact NE-OD2 2.88Å; R179-D182 PolarHBondContact NE-OD2 2.8Å; R179-D182 IonicContact NH2-OD1 2.7Å; R179-D182 PolarHBondContact NH2-OD1 3.27Å; R179-D182 IonicContact NH2-OD2 3.22Å; R179-D182 PolarHBondContact NH2-OD2 3.22Å; R179-D182 WeakPolarHBondContact O-CA 3.15Å; R179-D182 PolarHBondContact O-N 3.04Å; R179-S183 PolarHBondContact O-N 2.84Å; R179-S183 PolarHBondContact O-OG 3.32Å
180H95.8Very high96.8Very high109 Ų10961.4 Ų61.451%0.50532%0.315SS..G310 helixtrans-46.2-53-178.1174.8-87.2000112.4Y125 F178 D182 S183 H184Y125-H180 PolarHBondContact O-CD2 2.75Å; Y125-H180 PolarHBondContact O-NE2 2.78Å; F178-H180 PolarHBondContact O-N 3.24Å; H180-D182 PolarHBondContact O-N 3.27Å; H180-D182 VanDerWaalsContact O-N 3.13Å; H180-S183 PolarHBondContact O-N 3.39Å; H180-S183 PolarHBondContact O-OG 2.68Å; H180-H184 AromaticContact CE1-NE2 3.7Å; H180-H184 PolarHBondContact O-CD2 2.82Å; H180-H184 VanDerWaalsContact O-CD2 3.23Å
181A95.6Very high96.3Very high66 Ų6666.2 Ų66.255%0.54533%0.334SS..G310 helixtrans-63.2-17.4-179.800000115.4R179R179-A181 VanDerWaalsContact C-N 3.3Å; R179-A181 PolarHBondContact O-N 3.32Å
182D96.1Very high95.6Very high14 Ų1472.2 Ų72.28%0.07535%0.352CS..G310 helixtrans-98.9-19.7176.6-58.1-37.1000111.2N102 K104 I105 F178 R179 H180 H184N102-D182 PolarHBondContact ND2-O 3.38Å; N102-D182 PolarHBondContact OD1-O 3.12Å; K104-D182 HydrophobicContact CB-CB 4.04Å; K104-D182 HydrophobicContact CD-CB 4.21Å; K104-D182 WeakPolarHBondContact CD-OD1 3.3Å; K104-D182 IonicContact NZ-OD1 2.98Å; K104-D182 PolarHBondContact NZ-OD1 2.97Å; I105-D182 WeakPolarHBondContact CD1-O 3.26Å; I105-D182 WeakPolarHBondContact CG1-O 3.21Å; F178-D182 HydrophobicContact CB-CB 4.43Å; R179-D182 IonicContact CZ-OD2 2.71Å; R179-D182 IonicContact NE-OD2 2.88Å; R179-D182 PolarHBondContact NE-OD2 2.8Å; R179-D182 IonicContact NH2-OD1 2.7Å; R179-D182 PolarHBondContact NH2-OD1 3.27Å; R179-D182 IonicContact NH2-OD2 3.22Å; R179-D182 PolarHBondContact NH2-OD2 3.22Å; R179-D182 WeakPolarHBondContact O-CA 3.15Å; R179-D182 PolarHBondContact O-N 3.04Å; H180-D182 PolarHBondContact O-N 3.27Å; H180-D182 VanDerWaalsContact O-N 3.13Å; D182-H184 PolarHBondContact O-N 3.31Å
183S95.1Very high94.9Very high1 Ų171.5 Ų71.51%0.00733%0.33CS..  trans-9120.4-170.568.80000115.9S118 A119 R179 H180S118-S183 WeakPolarHBondContact OG-CB 3.35Å; S118-S183 PolarHBondContact OG-OG 2.97Å; A119-S183 WeakPolarHBondContact CB-O 3.34Å; A119-S183 WeakPolarHBondContact CB-OG 3.38Å; A119-S183 PolarHBondContact N-O 3.28Å; R179-S183 PolarHBondContact O-N 2.84Å; R179-S183 PolarHBondContact O-OG 3.32Å; H180-S183 PolarHBondContact O-N 3.39Å; H180-S183 PolarHBondContact O-OG 2.68Å
184H98.3Very high94.3Very high43 Ų4379.2 Ų79.220%0.19936%0.364CS..EExtended strand (participates in β ladder)trans-73.2131.6-174.3-72.8-164.8000113.2E101 I105 A119 Y125 H180 D182E101-H184 HydrophobicContact CB-CB 4.09Å; E101-H184 HydrophobicContact CG-CB 4.31Å; E101-H184 PolarHBondContact N-O 3.29Å; E101-H184 WeakPolarHBondContact OE2-CB 3.22Å; E101-H184 IonicContact OE2-ND1 3.58Å; I105-H184 WeakPolarHBondContact CD1-O 3.5Å; A119-H184 CarbonylContact O-C 3.58Å; A119-H184 VanDerWaalsContact O-CA 3.31Å; A119-H184 WeakPolarHBondContact O-CA 3.35Å; Y125-H184 HydrophobicContact CD1-CB 4.15Å; Y125-H184 AromaticContact CD1-CD2 3.83Å; Y125-H184 AromaticContact CD1-CG 3.75Å; Y125-H184 HydrophobicContact CE1-CB 3.93Å; Y125-H184 AromaticContact CE1-CG 3.84Å; Y125-H184 AromaticContact CE1-ND1 3.91Å; H180-H184 AromaticContact CE1-NE2 3.7Å; H180-H184 PolarHBondContact O-CD2 2.82Å; H180-H184 VanDerWaalsContact O-CD2 3.23Å; D182-H184 PolarHBondContact O-N 3.31Å
185Y98.6Very high93.9Very high0 Ų074.2 Ų74.20%035%0.35CS..EExtended strand (participates in β ladder)trans-129141.1174.2-85.7-106.9000111.4H94 L98 L99 P100 I105 Y107 L116 A119 I120 D121 A136H94-Y185 AromaticContact NE2-CE1 3.9Å; L98-Y185 HydrophobicContact CB-CD1 3.89Å; L98-Y185 HydrophobicContact CB-CE1 4.39Å; L99-Y185 VanDerWaalsContact C-CD1 3.4Å; L99-Y185 CarbonylContact O-C 3.58Å; L99-Y185 VanDerWaalsContact O-CA 3.28Å; L99-Y185 WeakPolarHBondContact O-CA 3.34Å; L99-Y185 WeakPolarHBondContact O-CD1 3.39Å; P100-Y185 HydrophobicContact CB-CD1 4.45Å; P100-Y185 HydrophobicContact CB-CE1 3.98Å; P100-Y185 HydrophobicContact CB-CE2 4.32Å; P100-Y185 HydrophobicContact CG-CE1 4.41Å; I105-Y185 HydrophobicContact CD1-CD2 3.94Å; I105-Y185 HydrophobicContact CD1-CE2 3.53Å; I105-Y185 HydrophobicContact CG1-CE2 4.42Å; I105-Y185 HydrophobicContact CG2-CE2 4.02Å; Y107-Y185 WeakPolarHBondContact CE2-OH 3.44Å; Y107-Y185 VanDerWaalsContact CZ-OH 3.3Å; Y107-Y185 WeakPolarHBondContact OH-CE1 3.32Å; Y107-Y185 PolarHBondContact OH-OH 2.98Å; L116-Y185 HydrophobicContact CB-CE2 4.33Å; L116-Y185 VanDerWaalsContact CB-OH 3.29Å; L116-Y185 WeakPolarHBondContact CB-OH 3.38Å; L116-Y185 VanDerWaalsContact O-CE2 3.24Å; L116-Y185 WeakPolarHBondContact O-CE2 3.32Å; A119-Y185 PolarHBondContact O-N 3.28Å; I120-Y185 WeakPolarHBondContact CA-O 3.26Å; D121-Y185 PolarHBondContact N-O 3.49Å; A136-Y185 HydrophobicContact CB-CE1 4.12Å
186K98.5Very high93.7Very high90 Ų9073.5 Ų73.539%0.39135%0.347SS..EExtended strand (participates in β ladder)trans-91.1126.4167.3-176.371.6-171.71710109.6L99 E101 D121L99-K186 HydrophobicContact CB-CB 4.38Å; L99-K186 PolarHBondContact N-O 2.97Å; L99-K186 PolarHBondContact O-N 2.83Å; E101-K186 HydrophobicContact CG-CB 4.22Å; E101-K186 PolarHBondContact OE1-N 3.43Å; D121-K186 HydrophobicContact CB-CD 4.48Å; D121-K186 VanDerWaalsContact OD2-CD 3.31Å; D121-K186 WeakPolarHBondContact OD2-CD 3.34Å; D121-K186 VanDerWaalsContact OD2-CE 3.3Å; D121-K186 WeakPolarHBondContact OD2-CE 3.46Å; D121-K186 IonicContact OD2-NZ 2.6Å; D121-K186 PolarHBondContact OD2-NZ 3.41Å
187M98.2Very high93.5Very high24 Ų2473.8 Ų73.812%0.11835%0.353CS..EExtended strand (participates in β ladder)trans-89.9124.8165.5-173.8174.9-78.500110.3D97 L98 I120 D121 K122 P189D97-M187 CarbonylContact O-C 3.56Å; D97-M187 WeakPolarHBondContact O-CA 3.39Å; D97-M187 WeakPolarHBondContact OD2-CG 3.49Å; L98-M187 HydrophobicContact CD2-CB 3.95Å; L98-M187 HydrophobicContact CD2-CE 3.82Å; L98-M187 HydrophobicContact CD2-CG 4.26Å; I120-M187 HydrophobicContact CG2-CB 3.86Å; I120-M187 HydrophobicContact CG2-CE 4.29Å; D121-M187 PolarHBondContact OD1-N 2.83Å; K122-M187 HydrophobicContact CB-CB 4.35Å; K122-M187 HydrophobicContact CB-SD 4.24Å; K122-M187 HydrophobicContact CD-CE 4.13Å; K122-M187 HydrophobicContact CD-SD 3.2Å; K122-M187 WeakPolarHBondContact CD-SD 3.36Å; K122-M187 HydrophobicContact CG-SD 4.36Å; M187-P189 WeakPolarHBondContact O-CD 3.48Å
188I97.3Very high93.5Very high17 Ų1772 Ų729%0.08735%0.351CS..PPolyproline II helixtrans-68.1124173-54.7173.2000108H37 I40 D97 L99 H190H37-I188 VanDerWaalsContact CD2-CG2 3.48Å; H37-I188 WeakPolarHBondContact CD2-CG2 3.4Å; H37-I188 WeakPolarHBondContact NE2-CG2 3.49Å; I40-I188 HydrophobicContact CB-CD1 3.82Å; I40-I188 HydrophobicContact CD1-CD1 4.29Å; I40-I188 HydrophobicContact CD1-CG2 4.23Å; I40-I188 HydrophobicContact CG2-CD1 3.56Å; I40-I188 HydrophobicContact CG2-CG1 4.36Å; D97-I188 HydrophobicContact CB-CB 4.31Å; D97-I188 PolarHBondContact O-N 3.5Å; L99-I188 HydrophobicContact CD1-CD1 4.1Å; L99-I188 HydrophobicContact CD1-CG1 3.96Å; L99-I188 HydrophobicContact CD2-CD1 4.33Å; L99-I188 HydrophobicContact CG-CD1 4.24Å; L99-I188 HydrophobicContact CG-CG1 4.19Å; I188-H190 PolarHBondContact O-N 2.97Å; I188-H190 PolarHBondContact O-ND1 2.88Å; I188-H190 VanDerWaalsContact O-ND1 3.16Å
189P93.8Very high93.4Very high108 Ų10870.9 Ų70.970%0.70135%0.347SS*.PPolyproline II helixtrans-54.4138.5-178.4-27.635.1000113H37 M187H37-P189 PolarHBondContact NE2-O 3.25Å; H37-P189 VanDerWaalsContact NE2-O 3.14Å; M187-P189 WeakPolarHBondContact O-CD 3.48Å
190H89.3Confident93.4Very high67 Ų6768.7 Ų68.731%0.3135%0.348SS..  trans-154.8155.1176.760.3-93.1000113.9R34 D97 I188R34-H190 VanDerWaalsContact CZ-CB 3.49Å; R34-H190 VanDerWaalsContact NH2-CB 3.33Å; R34-H190 PolarHBondContact NH2-CD2 3.35Å; D97-H190 IonicContact OD2-CE1 3.39Å; D97-H190 PolarHBondContact OD2-CE1 3.4Å; D97-H190 IonicContact OD2-ND1 3.17Å; D97-H190 PolarHBondContact OD2-ND1 3.12Å; D97-H190 IonicContact OD2-NE2 2.78Å; I188-H190 PolarHBondContact O-N 2.97Å; I188-H190 PolarHBondContact O-ND1 2.88Å; I188-H190 VanDerWaalsContact O-ND1 3.16Å
191K87.5Confident93.4Very high189 Ų18963.9 Ų63.982%0.82233%0.327SS*.PPolyproline II helixtrans-86.9156.8161.6-62-178.2-177.8178.90109.7R34R34-K191 PolarHBondContact NH2-O 3.45Å
192R82.1Confident93.5Very high159 Ų15962.5 Ų62.560%0.631%0.307SS*.PPolyproline II helixtrans-68.7136.1174.2-170.3159.567.4119.7-6.9110.7V198R192-V198 VanDerWaalsContact NH1-N 3.15Å
193E82.8Confident93.6Very high56 Ų5668.5 Ų68.526%0.26233%0.33SS..PPolyproline II helixtrans-83.6148.2-176.3-51.591.6146.300111.5R34 G195 N196R34-E193 IonicContact CZ-OE1 3.31Å; R34-E193 IonicContact NE-OE1 2.75Å; R34-E193 PolarHBondContact NE-OE1 3.04Å; R34-E193 IonicContact NH2-OE1 3.19Å; R34-E193 PolarHBondContact NH2-OE1 3.37Å; R34-E193 IonicContact NH2-OE2 3.86Å; R34-E193 PolarHBondContact NH2-OE2 2.64Å; E193-G195 PolarHBondContact O-N 2.87Å; E193-N196 PolarHBondContact O-N 3.44Å
194K86.8Confident93.7Very high208 Ų20872.5 Ų72.590%0.90435%0.345SS*.THydrogen-bonded Turntrans-64.1-39.3178.9-69.4-176.3177.4-179.30112.7N196K194-N196 PolarHBondContact O-N 3.3Å
195G89.9Confident93.7Very high26 Ų2670.6 Ų70.627%0.26834%0.336SS..THydrogen-bonded Turntrans-80.73.1-178.600000114.9R32 F69 E193 P197R32-G195 PolarHBondContact NH1-O 3.46Å; R32-G195 VanDerWaalsContact NH1-O 3.08Å; R32-G195 PolarHBondContact NH2-O 2.94Å; F69-G195 PolarHBondContact N-O 3.37Å; E193-G195 PolarHBondContact O-N 2.87Å; G195-P197 WeakPolarHBondContact O-CD 3.4Å
196N92.9Very high93.7Very high22 Ų2271.8 Ų71.812%0.11834%0.342CS..SBendtrans-123.159.7175.1-165.420000110.2F69 G156 W157 E193 K194F69-N196 HydrophobicContact CB-CB 4.08Å; G156-N196 VanDerWaalsContact C-OD1 3.31Å; W157-N196 PolarHBondContact N-OD1 3.37Å; W157-N196 VanDerWaalsContact N-OD1 3.12Å; E193-N196 PolarHBondContact O-N 3.44Å; K194-N196 PolarHBondContact O-N 3.3Å
197P94.7Very high93.6Very high56 Ų5674.4 Ų74.436%0.36436%0.356SS..  trans-64162.2-179.631.4-36.9000110.5T68 G156 W157 G195 N199T68-P197 HydrophobicContact CG2-CG 4.17Å; G156-P197 CarbonylContact C-O 3.56Å; G156-P197 WeakPolarHBondContact CA-O 3.43Å; W157-P197 PolarHBondContact N-O 2.66Å; G195-P197 WeakPolarHBondContact O-CD 3.4Å; P197-N199 PolarHBondContact O-N 3.5Å
198V96Very high93.6Very high43 Ų4378.3 Ų78.326%0.26137%0.372SS..BIsolated β-bridgetrans-63.5128.8172.3163.10000108.1W157 R192 D200W157-V198 HydrophobicContact CE3-CG2 3.77Å; W157-V198 HydrophobicContact CZ3-CG2 4.25Å; R192-V198 VanDerWaalsContact NH1-N 3.15Å; V198-D200 PolarHBondContact O-N 2.87Å
199N96.3Very high93.6Very high15 Ų1581.3 Ų81.38%0.0838%0.383CS..  trans-80101.6177.2179.2-5.5000109.9W155 W157 P197 C201 R202W155-N199 WeakPolarHBondContact O-CB 3.36Å; W155-N199 PolarHBondContact O-ND2 3.46Å; W157-N199 PolarHBondContact O-N 2.9Å; P197-N199 PolarHBondContact O-N 3.5Å; N199-C201 PolarHBondContact O-N 2.71Å; N199-C201 WeakPolarHBondContact OD1-CA 3.38Å; N199-C201 VanDerWaalsContact OD1-CB 3.29Å; N199-C201 WeakPolarHBondContact OD1-CB 3.38Å; N199-C201 PolarHBondContact OD1-N 2.79Å; N199-R202 HydrophobicContact CB-CB 4.2Å; N199-R202 WeakPolarHBondContact O-CB 3.24Å; N199-R202 WeakPolarHBondContact O-CD 3.45Å; N199-R202 WeakPolarHBondContact O-CG 3.32Å; N199-R202 PolarHBondContact O-N 3.12Å; N199-R202 VanDerWaalsContact O-N 3.12Å; N199-R202 PolarHBondContact O-NH1 3.15Å; N199-R202 PolarHBondContact OD1-N 3.06Å
200D95.9Very high93.7Very high130 Ų13081 Ų8170%0.69537%0.374SS*.THydrogen-bonded Turntrans-66.5-18179.4-65.5-28.5000113.6V198V198-D200 PolarHBondContact O-N 2.87Å
201C96.7Very high94.1Very high8 Ų881.8 Ų81.85%0.05438%0.384CS..THydrogen-bonded Turntrans-84.2-11.1175.4-170.10000113.4N199 Y203 R204 L205 C254N199-C201 PolarHBondContact O-N 2.71Å; N199-C201 WeakPolarHBondContact OD1-CA 3.38Å; N199-C201 VanDerWaalsContact OD1-CB 3.29Å; N199-C201 WeakPolarHBondContact OD1-CB 3.38Å; N199-C201 PolarHBondContact OD1-N 2.79Å; C201-Y203 VanDerWaalsContact C-N 3.28Å; C201-Y203 PolarHBondContact O-N 3.4Å; C201-Y203 VanDerWaalsContact O-N 3.1Å; C201-R204 PolarHBondContact O-N 3.35Å; C201-L205 HydrophobicContact CB-CD1 4.48Å; C201-L205 PolarHBondContact O-N 2.87Å; C201-C254 HydrophobicContact CB-CB 3.71Å; C201-C254 WeakPolarHBondContact CB-SG 3.25Å; C201-C254 WeakPolarHBondContact SG-CA 3.4Å; C201-C254 WeakPolarHBondContact SG-CB 3.39Å; C201-C254 CovalentContact SG-SG 2.03Å; C201-C254 PolarHBondContact SG-SG 3.27Å
202R97.5Very high94.6Very high36 Ų3673.6 Ų73.614%0.13635%0.348CS..Hα-helixtrans-53.2-39.9-169.770.2-169.5177-82.14.2114.5Y154 G158 N199 L205 L206Y154-R202 HydrophobicContact CD1-CB 4.39Å; Y154-R202 HydrophobicContact CE1-CB 4.26Å; G158-R202 WeakPolarHBondContact O-CB 3.33Å; N199-R202 HydrophobicContact CB-CB 4.2Å; N199-R202 WeakPolarHBondContact O-CB 3.24Å; N199-R202 WeakPolarHBondContact O-CD 3.45Å; N199-R202 WeakPolarHBondContact O-CG 3.32Å; N199-R202 PolarHBondContact O-N 3.12Å; N199-R202 VanDerWaalsContact O-N 3.12Å; N199-R202 PolarHBondContact O-NH1 3.15Å; N199-R202 PolarHBondContact OD1-N 3.06Å; R202-L205 PolarHBondContact O-N 2.93Å; R202-L206 WeakPolarHBondContact O-CB 3.33Å; R202-L206 VanDerWaalsContact O-CG 3.31Å; R202-L206 WeakPolarHBondContact O-CG 3.45Å; R202-L206 PolarHBondContact O-N 3.44Å
203Y97.6Very high95.3Very high141 Ų14168.2 Ų68.255%0.55333%0.327SS*.Hα-helixtrans-71.5-38.7179.6-61.5-61.2000112C201 L205 L206 E207C201-Y203 VanDerWaalsContact C-N 3.28Å; C201-Y203 PolarHBondContact O-N 3.4Å; C201-Y203 VanDerWaalsContact O-N 3.1Å; Y203-L205 VanDerWaalsContact C-N 3.34Å; Y203-L205 PolarHBondContact O-N 2.72Å; Y203-L206 HydrophobicContact CD1-CD1 4.3Å; Y203-L206 PolarHBondContact O-N 3.37Å; Y203-E207 WeakPolarHBondContact O-CG 3.09Å; Y203-E207 PolarHBondContact O-N 3.27Å
204R97.5Very high96Very high85 Ų8573 Ų7332%0.32135%0.348SS..Hα-helixtrans-65.2-38173.3-66.1-165.7-72-101.71.8111.7C201 E207 K208 I253 C254C201-R204 PolarHBondContact O-N 3.35Å; R204-E207 PolarHBondContact O-N 2.92Å; R204-K208 WeakPolarHBondContact O-CG 3.13Å; R204-K208 PolarHBondContact O-N 3.35Å; R204-I253 HydrophobicContact CB-CG2 3.9Å; R204-I253 VanDerWaalsContact CD-O 3.28Å; R204-I253 WeakPolarHBondContact CD-O 3.4Å; R204-I253 PolarHBondContact NE-O 3Å; R204-C254 PolarHBondContact NH2-O 2.9Å
205L98.1Very high96.5Very high2 Ų269.2 Ų69.21%0.0133%0.331CS..Hα-helixtrans-63.5-47172.9-71171.2000111.2D153 Y154 C201 R202 Y203 E207 K208 R209 I250 I253D153-L205 HydrophobicContact CB-CD1 4.19Å; D153-L205 HydrophobicContact CB-CD2 3.94Å; D153-L205 WeakPolarHBondContact O-CD1 3.42Å; Y154-L205 HydrophobicContact CD1-CD1 3.95Å; Y154-L205 HydrophobicContact CE1-CB 3.83Å; Y154-L205 HydrophobicContact CE1-CD1 3.99Å; Y154-L205 HydrophobicContact CG-CD1 4.33Å; C201-L205 HydrophobicContact CB-CD1 4.48Å; C201-L205 PolarHBondContact O-N 2.87Å; R202-L205 PolarHBondContact O-N 2.93Å; Y203-L205 VanDerWaalsContact C-N 3.34Å; Y203-L205 PolarHBondContact O-N 2.72Å; L205-E207 VanDerWaalsContact C-N 3.31Å; L205-E207 PolarHBondContact O-N 2.87Å; L205-K208 CarbonylContact O-C 3.38Å; L205-K208 WeakPolarHBondContact O-CA 3.38Å; L205-K208 PolarHBondContact O-N 2.82Å; L205-R209 PolarHBondContact O-N 2.99Å; L205-I250 HydrophobicContact CD2-CB 4.41Å; L205-I250 HydrophobicContact CD2-CD1 4.28Å; L205-I250 HydrophobicContact CD2-CG2 4.37Å; L205-I253 HydrophobicContact CD2-CG2 4.19Å
206L98Very high96.9Very high25 Ų2568 Ų6813%0.13132%0.318CS..Hα-helixtrans-57.8-43175.7-77.4168.6000111.5Y154 D162 D163 R202 Y203 K208 R209Y154-L206 WeakPolarHBondContact OH-CD2 3.32Å; Y154-L206 PolarHBondContact OH-N 2.97Å; D162-L206 HydrophobicContact CB-CD2 3.95Å; D163-L206 HydrophobicContact CB-CD2 4.17Å; R202-L206 WeakPolarHBondContact O-CB 3.33Å; R202-L206 VanDerWaalsContact O-CG 3.31Å; R202-L206 WeakPolarHBondContact O-CG 3.45Å; R202-L206 PolarHBondContact O-N 3.44Å; Y203-L206 HydrophobicContact CD1-CD1 4.3Å; Y203-L206 PolarHBondContact O-N 3.37Å; L206-K208 PolarHBondContact O-N 3.12Å; L206-R209 WeakPolarHBondContact O-CB 3.27Å; L206-R209 WeakPolarHBondContact O-CD 3.37Å; L206-R209 WeakPolarHBondContact O-CG 3.44Å; L206-R209 PolarHBondContact O-N 3.26Å; L206-R209 PolarHBondContact O-NH1 2.84Å
207E97.5Very high97.2Very high145 Ų14566.9 Ų66.968%0.67831%0.312SS*.Hα-helixtrans-59.3-31.9174.1-74.3172.8-175.400113Y203 R204 L205Y203-E207 WeakPolarHBondContact O-CG 3.09Å; Y203-E207 PolarHBondContact O-N 3.27Å; R204-E207 PolarHBondContact O-N 2.92Å; L205-E207 VanDerWaalsContact C-N 3.31Å; L205-E207 PolarHBondContact O-N 2.87Å
208K97.5Very high97.4Very high107 Ų10766.1 Ų66.147%0.46531%0.305SS..Hα-helixtrans-952.4-179.8-60.5-60.5-178.8-173.70114.2R204 L205 L206 L210 V211 R212 I253R204-K208 WeakPolarHBondContact O-CG 3.13Å; R204-K208 PolarHBondContact O-N 3.35Å; L205-K208 CarbonylContact O-C 3.38Å; L205-K208 WeakPolarHBondContact O-CA 3.38Å; L205-K208 PolarHBondContact O-N 2.82Å; L206-K208 PolarHBondContact O-N 3.12Å; K208-L210 VanDerWaalsContact C-N 3.27Å; K208-L210 PolarHBondContact O-N 2.73Å; K208-L210 VanDerWaalsContact O-N 3.12Å; K208-V211 PolarHBondContact O-N 2.99Å; K208-R212 HydrophobicContact CB-CG 4.08Å; K208-R212 PolarHBondContact O-N 3.28Å; K208-I253 HydrophobicContact CB-CD1 4.27Å; K208-I253 HydrophobicContact CG-CD1 4.27Å; K208-I253 HydrophobicContact CG-CG1 4.44Å; K208-I253 HydrophobicContact CG-CG2 4.11Å
209R97.8Very high97.5Very high80 Ų8068.6 Ų68.630%0.30232%0.317SS..Hα-helixtrans-52.4-37.6-173.470.3-166.8177.5-90.53.4114.4W166 L205 L206 V211 R212 W213W166-R209 HydrophobicContact CD2-CG 3.77Å; W166-R209 HydrophobicContact CE3-CB 4.3Å; W166-R209 HydrophobicContact CE3-CG 3.81Å; W166-R209 HydrophobicContact CG-CG 4.3Å; W166-R209 HydrophobicContact CH2-CG 4.45Å; W166-R209 HydrophobicContact CZ2-CG 4.38Å; W166-R209 HydrophobicContact CZ3-CG 4.17Å; L205-R209 PolarHBondContact O-N 2.99Å; L206-R209 WeakPolarHBondContact O-CB 3.27Å; L206-R209 WeakPolarHBondContact O-CD 3.37Å; L206-R209 WeakPolarHBondContact O-CG 3.44Å; L206-R209 PolarHBondContact O-N 3.26Å; L206-R209 PolarHBondContact O-NH1 2.84Å; R209-V211 VanDerWaalsContact C-N 3.32Å; R209-V211 PolarHBondContact O-N 2.94Å; R209-R212 PolarHBondContact O-N 3.13Å; R209-W213 WeakPolarHBondContact O-CB 3.48Å; R209-W213 PolarHBondContact O-N 3.35Å
210L96.6Very high97.5Very high100 Ų10070 Ų7052%0.52433%0.325SS..Hα-helixtrans-59.8-41.2177.6176.163.4000113W166 K208W166-L210 VanDerWaalsContact CH2-CA 3.47Å; W166-L210 HydrophobicContact CH2-CB 3.89Å; W166-L210 HydrophobicContact CH2-CD1 3.65Å; W166-L210 HydrophobicContact CH2-CG 4.39Å; W166-L210 HydrophobicContact CZ2-CB 4.04Å; W166-L210 HydrophobicContact CZ2-CD1 3.94Å; K208-L210 VanDerWaalsContact C-N 3.27Å; K208-L210 PolarHBondContact O-N 2.73Å; K208-L210 VanDerWaalsContact O-N 3.12Å
211V96.9Very high97.7Very high85 Ų8565.5 Ų65.552%0.51530%0.3SS..Hα-helixtrans-80.1-40.8178.3-179.60000110.2K208 R209K208-V211 PolarHBondContact O-N 2.99Å; R209-V211 VanDerWaalsContact C-N 3.32Å; R209-V211 PolarHBondContact O-N 2.94Å
212R97.3Very high97.7Very high17 Ų1769.3 Ų69.36%0.06432%0.32CS..Hα-helixtrans-69.1-32.3-178.9-68.3-55.4-59.3165.7-0.9112.8D153 K208 R209 K214 K215 S216 E249 I253D153-R212 VanDerWaalsContact CG-NH2 3.32Å; D153-R212 IonicContact OD1-CZ 3.24Å; D153-R212 IonicContact OD1-NH2 3.05Å; D153-R212 PolarHBondContact OD1-NH2 3.3Å; D153-R212 IonicContact OD2-CZ 3.82Å; D153-R212 VanDerWaalsContact OD2-CZ 3.28Å; D153-R212 IonicContact OD2-NE 3.7Å; D153-R212 PolarHBondContact OD2-NE 3.34Å; D153-R212 IonicContact OD2-NH2 2.79Å; D153-R212 PolarHBondContact OD2-NH2 2.73Å; K208-R212 HydrophobicContact CB-CG 4.08Å; K208-R212 PolarHBondContact O-N 3.28Å; R209-R212 PolarHBondContact O-N 3.13Å; R212-K214 PolarHBondContact O-N 3.32Å; R212-K215 CarbonylContact O-C 3.49Å; R212-K215 WeakPolarHBondContact O-CA 3.28Å; R212-K215 PolarHBondContact O-N 3.25Å; R212-S216 WeakPolarHBondContact O-CB 3.25Å; R212-S216 PolarHBondContact O-N 3.18Å; R212-E249 IonicContact NH2-OE2 3.93Å; R212-I253 HydrophobicContact CG-CD1 4.15Å
213W98.1Very high97.8Very high45 Ų4569.6 Ų69.617%0.1732%0.321CS..Hα-helixtrans-55.3-37.9177.7176.232.3000113.3V147 N148 W166 R167 Q170 R209 K215V147-W213 PolarHBondContact O-NE1 2.91Å; N148-W213 PolarHBondContact ND2-O 3.12Å; W166-W213 AromaticContact CH2-CE3 3.71Å; W166-W213 HydrophobicContact CH2-CE3 3.71Å; W166-W213 HydrophobicContact CH2-CZ3 4.28Å; W166-W213 HydrophobicContact CZ3-CB 3.97Å; W166-W213 AromaticContact CZ3-CD2 3.95Å; W166-W213 HydrophobicContact CZ3-CD2 3.95Å; W166-W213 AromaticContact CZ3-CE3 3.58Å; W166-W213 HydrophobicContact CZ3-CE3 3.58Å; W166-W213 HydrophobicContact CZ3-CG 4.15Å; W166-W213 HydrophobicContact CZ3-CZ3 4.35Å; R167-W213 HydrophobicContact CG-CD2 4.27Å; R167-W213 HydrophobicContact CG-CG 3.99Å; Q170-W213 HydrophobicContact CB-CE3 4.31Å; Q170-W213 HydrophobicContact CB-CH2 3.5Å; Q170-W213 VanDerWaalsContact CB-CH2 3.5Å; Q170-W213 HydrophobicContact CB-CZ2 4.44Å; Q170-W213 HydrophobicContact CB-CZ3 3.43Å; Q170-W213 VanDerWaalsContact CB-CZ3 3.43Å; Q170-W213 HydrophobicContact CG-CE3 4.47Å; Q170-W213 HydrophobicContact CG-CH2 4.47Å; Q170-W213 HydrophobicContact CG-CZ3 3.96Å; R209-W213 WeakPolarHBondContact O-CB 3.48Å; R209-W213 PolarHBondContact O-N 3.35Å; W213-K215 PolarHBondContact O-N 3.27Å
214K96.7Very high97.8Very high158 Ų15867.4 Ų67.469%0.68732%0.316SS*.THydrogen-bonded Turntrans-72.7-16.5176.9-61.9-176.8179.9-177.20113.5R212 N219R212-K214 PolarHBondContact O-N 3.32Å; K214-N219 PolarHBondContact O-ND2 2.78Å
215K97.3Very high97.9Very high127 Ų12766.7 Ų66.755%0.55232%0.318SS*.THydrogen-bonded Turntrans-118.7-19.7-171-64-174176.9-172.70114.1R212 W213 N220R212-K215 CarbonylContact O-C 3.49Å; R212-K215 WeakPolarHBondContact O-CA 3.28Å; R212-K215 PolarHBondContact O-N 3.25Å; W213-K215 PolarHBondContact O-N 3.27Å; K215-N220 WeakPolarHBondContact O-CB 3.43Å; K215-N220 PolarHBondContact O-ND2 3.17Å; K215-N220 PolarHBondContact O-OD1 3.47Å
216S98.1Very high97.9Very high0 Ų070.8 Ų70.80%034%0.34CS..SBendtrans-133.1109.4-172-170.50000110.5S151 N152 D153 R167 R212 N220S151-S216 PolarHBondContact OG-OG 2.7Å; N152-S216 PolarHBondContact N-OG 2.76Å; D153-S216 WeakPolarHBondContact OD1-CB 3.36Å; D153-S216 PolarHBondContact OD1-OG 2.67Å; D153-S216 WeakPolarHBondContact OD2-CB 3.32Å; D153-S216 PolarHBondContact OD2-OG 3.46Å; R167-S216 PolarHBondContact NH1-O 2.88Å; R167-S216 PolarHBondContact NH2-O 3.04Å; R212-S216 WeakPolarHBondContact O-CB 3.25Å; R212-S216 PolarHBondContact O-N 3.18Å; S216-N220 VanDerWaalsContact CA-OD1 3.26Å; S216-N220 WeakPolarHBondContact CA-OD1 3.45Å
217G98.6Very high97.9Very high0 Ų071.4 Ų71.40%035%0.346CS..SBendtrans170.5-147.2-177.100000113.1N148 Y150 N152 N219 N220 L221N148-G217 CarbonylContact O-C 3.59Å; N148-G217 WeakPolarHBondContact O-CA 3.08Å; Y150-G217 VanDerWaalsContact O-CA 3.32Å; Y150-G217 WeakPolarHBondContact O-CA 3.39Å; N152-G217 PolarHBondContact ND2-N 3.21Å; N152-G217 PolarHBondContact ND2-O 2.95Å; G217-N219 PolarHBondContact O-N 3.4Å; G217-N220 PolarHBondContact N-OD1 3.31Å; G217-N220 PolarHBondContact O-OD1 3.41Å; G217-L221 PolarHBondContact O-N 3.03Å
218L98.8Very high98Very high39 Ų3967.3 Ų67.320%0.20433%0.329CS..G310 helixtrans-61.8-34.1172.6-67.7175.4000112.1N76 F79 F144 N148 N220 L221N76-L218 HydrophobicContact CB-CD2 4.02Å; F79-L218 HydrophobicContact CD1-CD1 4.32Å; F79-L218 HydrophobicContact CD1-CD2 3.82Å; F79-L218 HydrophobicContact CE1-CD1 3.95Å; F79-L218 HydrophobicContact CE1-CD2 4.19Å; F144-L218 HydrophobicContact CD1-CD1 3.83Å; F144-L218 HydrophobicContact CE1-CD1 4.03Å; F144-L218 HydrophobicContact CE1-CD2 3.94Å; F144-L218 HydrophobicContact CE1-CG 4.3Å; N148-L218 PolarHBondContact O-N 2.84Å; N148-L218 PolarHBondContact OD1-N 3.45Å; L218-N220 VanDerWaalsContact C-N 3.28Å; L218-N220 PolarHBondContact O-N 2.76Å; L218-L221 HydrophobicContact CD2-CD2 4.4Å; L218-L221 WeakPolarHBondContact O-CB 3.49Å; L218-L221 PolarHBondContact O-N 3.47Å
219N98.2Very high98Very high95 Ų9566.3 Ų66.351%0.50833%0.328SS..G310 helixtrans-68.3-19.4-175.270.7-29.9000115.5N148 K214 G217N148-N219 VanDerWaalsContact ND2-CG 3.32Å; N148-N219 PolarHBondContact ND2-OD1 3.05Å; N148-N219 PolarHBondContact OD1-N 3.28Å; N148-N219 PolarHBondContact OD1-OD1 3.02Å; K214-N219 PolarHBondContact O-ND2 2.78Å; G217-N219 PolarHBondContact O-N 3.4Å
220N98Very high98Very high46 Ų4666.5 Ų66.525%0.24633%0.333CS..G310 helixtrans-125.319.9174.582-39.7000112N152 K215 S216 G217 L218 N222N152-N220 PolarHBondContact ND2-OD1 3.25Å; K215-N220 WeakPolarHBondContact O-CB 3.43Å; K215-N220 PolarHBondContact O-ND2 3.17Å; K215-N220 PolarHBondContact O-OD1 3.47Å; S216-N220 VanDerWaalsContact CA-OD1 3.26Å; S216-N220 WeakPolarHBondContact CA-OD1 3.45Å; G217-N220 PolarHBondContact N-OD1 3.31Å; G217-N220 PolarHBondContact O-OD1 3.41Å; L218-N220 VanDerWaalsContact C-N 3.28Å; L218-N220 PolarHBondContact O-N 2.76Å; N220-N222 PolarHBondContact O-N 3.06Å
221L98.6Very high98Very high34 Ų3463.2 Ų63.218%0.17832%0.318CS..  trans-63.3110.4-176.9-174.366.4000110.3K73 N76 I77 A80 G217 L218 Y223K73-L221 HydrophobicContact CG-CD1 4.12Å; N76-L221 HydrophobicContact CB-CD1 3.66Å; N76-L221 HydrophobicContact CB-CD2 3.92Å; N76-L221 HydrophobicContact CB-CG 4.4Å; I77-L221 HydrophobicContact CG1-CD1 3.98Å; I77-L221 HydrophobicContact CG1-CD2 4.37Å; I77-L221 HydrophobicContact CG1-CG 4.43Å; A80-L221 HydrophobicContact CB-CD2 4.1Å; G217-L221 PolarHBondContact O-N 3.03Å; L218-L221 HydrophobicContact CD2-CD2 4.4Å; L218-L221 WeakPolarHBondContact O-CB 3.49Å; L218-L221 PolarHBondContact O-N 3.47Å; L221-Y223 HydrophobicContact CD1-CD1 4.48Å; L221-Y223 HydrophobicContact CD2-CD1 4.32Å; L221-Y223 HydrophobicContact CD2-CE1 3.83Å; L221-Y223 HydrophobicContact CG-CD1 3.91Å; L221-Y223 HydrophobicContact CG-CE1 3.89Å
222N97.9Very high98Very high89 Ų8962.8 Ų62.848%0.47632%0.317SS..  trans-125.4130.7178.9-172.530.3000110.9K73 N220 F242K73-N222 WeakPolarHBondContact CE-O 3.08Å; K73-N222 PolarHBondContact NZ-O 3.49Å; N220-N222 PolarHBondContact O-N 3.06Å; N222-F242 WeakPolarHBondContact ND2-CD2 3.01Å
223Y98.5Very high98.1Very high42 Ų4262.7 Ų62.717%0.16532%0.317CS..  trans-166.6165.1-178.162.7-78.4000109.2I77 E81 L221 V239 N240I77-Y223 HydrophobicContact CD1-CD1 4.12Å; I77-Y223 HydrophobicContact CD1-CD2 4.26Å; I77-Y223 HydrophobicContact CD1-CG 3.77Å; I77-Y223 HydrophobicContact CG1-CD1 3.68Å; I77-Y223 HydrophobicContact CG1-CD2 4.21Å; I77-Y223 HydrophobicContact CG1-CE1 4.02Å; I77-Y223 HydrophobicContact CG1-CG 3.78Å; I77-Y223 HydrophobicContact CG2-CD2 3.81Å; I77-Y223 HydrophobicContact CG2-CE1 4.36Å; I77-Y223 HydrophobicContact CG2-CE2 3.63Å; I77-Y223 HydrophobicContact CG2-CG 4.26Å; E81-Y223 HydrophobicContact CG-CE2 4.41Å; E81-Y223 VanDerWaalsContact OE1-CE2 3.26Å; E81-Y223 WeakPolarHBondContact OE1-CE2 3.48Å; E81-Y223 PolarHBondContact OE1-OH 2.8Å; L221-Y223 HydrophobicContact CD1-CD1 4.48Å; L221-Y223 HydrophobicContact CD2-CD1 4.32Å; L221-Y223 HydrophobicContact CD2-CE1 3.83Å; L221-Y223 HydrophobicContact CG-CD1 3.91Å; L221-Y223 HydrophobicContact CG-CE1 3.89Å; Y223-V239 HydrophobicContact CD2-CB 4.33Å; Y223-V239 HydrophobicContact CD2-CG1 3.93Å; Y223-V239 HydrophobicContact CE2-CG1 4.39Å; Y223-N240 VanDerWaalsContact CA-O 3.3Å; Y223-N240 WeakPolarHBondContact CA-O 3.37Å; Y223-N240 WeakPolarHBondContact CB-O 3.47Å
224E98.6Very high98.1Very high95 Ų9562.8 Ų62.844%0.44432%0.318SS..EExtended strand (participates in β ladder)trans-114.5129.8170.2173.1-172.8-154.200109.1L226 V239 N240 F242E224-L226 HydrophobicContact CG-CD2 4.01Å; E224-L226 PolarHBondContact O-N 3.38Å; E224-V239 CarbonylContact O-C 3.5Å; E224-V239 VanDerWaalsContact O-CA 3.22Å; E224-V239 WeakPolarHBondContact O-CA 3.36Å; E224-V239 WeakPolarHBondContact O-CB 3.15Å; E224-N240 HydrophobicContact CB-CB 4.22Å; E224-N240 PolarHBondContact N-O 2.98Å; E224-N240 PolarHBondContact O-N 3.22Å; E224-F242 HydrophobicContact CB-CE1 4.4Å; E224-F242 HydrophobicContact CB-CE2 4.43Å; E224-F242 HydrophobicContact CB-CZ 3.82Å
225L98.7Very high98.2Very high70 Ų7055.2 Ų55.237%0.36629%0.285SS..EExtended strand (participates in β ladder)trans-79110.4172.4-179.367000109.1L228 V237 V239L225-L228 HydrophobicContact CD1-CB 4.36Å; L225-L228 HydrophobicContact CD2-CB 4.22Å; L225-V237 HydrophobicContact CD1-CG1 3.84Å; L225-V239 HydrophobicContact CD1-CG1 3.98Å
226L98.5Very high98.2Very high87 Ų8750.1 Ų50.146%0.45526%0.264SS..EExtended strand (participates in β ladder)trans-84.2-40.4179.5-57.8178000111.2E224 V238 N240E224-L226 HydrophobicContact CG-CD2 4.01Å; E224-L226 PolarHBondContact O-N 3.38Å; L226-V238 HydrophobicContact CB-CG1 4.48Å; L226-V238 WeakPolarHBondContact CB-O 3.29Å; L226-V238 HydrophobicContact CD1-CG1 4.38Å; L226-V238 PolarHBondContact N-O 2.93Å; L226-N240 HydrophobicContact CD1-CB 4.17Å; L226-N240 HydrophobicContact CD2-CB 4.23Å; L226-N240 HydrophobicContact CG-CB 4.3Å
227S98.3Very high98.3Very high38 Ų3850.1 Ų50.127%0.26626%0.264SS..EExtended strand (participates in β ladder)trans-156.7148.2173.766.50000112.4V238S227-V238 PolarHBondContact N-O 3.18Å; S227-V238 PolarHBondContact O-N 3.31Å; S227-V238 WeakPolarHBondContact OG-CB 3.49Å; S227-V238 WeakPolarHBondContact OG-CG2 3.39Å
228L98.6Very high98.3Very high60 Ų6051.7 Ų51.731%0.31427%0.273SS..EExtended strand (participates in β ladder)trans-130.3114.1168.8-172.2155.7000109I85 L225 M230 V235 N236 V237I85-L228 HydrophobicContact CD1-CD2 4.43Å; L225-L228 HydrophobicContact CD1-CB 4.36Å; L225-L228 HydrophobicContact CD2-CB 4.22Å; L228-M230 HydrophobicContact CD2-CG 4.39Å; L228-M230 HydrophobicContact CD2-SD 4.2Å; L228-V235 HydrophobicContact CD1-CG1 4.45Å; L228-V235 HydrophobicContact CD2-CG1 3.89Å; L228-V235 HydrophobicContact CG-CG1 3.97Å; L228-N236 CarbonylContact C-O 3.32Å; L228-N236 VanDerWaalsContact CA-O 3.29Å; L228-N236 WeakPolarHBondContact CA-O 3.22Å; L228-V237 HydrophobicContact CD1-CG2 4.48Å; L228-V237 HydrophobicContact CG-CG2 4.47Å
229N98.2Very high98.3Very high85 Ų8549.8 Ų49.846%0.45526%0.264SS..EExtended strand (participates in β ladder)trans-118.5123.7-177.5-62.4-42.6000111T231 N236N229-T231 PolarHBondContact O-N 2.88Å; N229-T231 VanDerWaalsContact O-N 3.12Å; N229-N236 HydrophobicContact CB-CB 4.26Å; N229-N236 PolarHBondContact N-O 3.49Å; N229-N236 PolarHBondContact O-N 3.21Å
230M97.9Very high98.3Very high84 Ų8447.2 Ų47.241%0.41425%0.25SC..EExtended strand (participates in β ladder)trans-81.585.7173.6-61.3-66.3-80.900109.3P10 I13 I85 L228 V235P10-M230 HydrophobicContact CB-CB 4.17Å; P10-M230 WeakPolarHBondContact O-CE 3.27Å; I13-M230 HydrophobicContact CD1-CE 3.99Å; I85-M230 HydrophobicContact CD1-CE 4.46Å; I85-M230 HydrophobicContact CD1-SD 3.89Å; L228-M230 HydrophobicContact CD2-CG 4.39Å; L228-M230 HydrophobicContact CD2-SD 4.2Å; M230-V235 HydrophobicContact CE-CG2 4.27Å; M230-V235 HydrophobicContact SD-CB 4.35Å; M230-V235 HydrophobicContact SD-CG1 3.98Å; M230-V235 HydrophobicContact SD-CG2 3.66Å
231T97.2Very high98.3Very high31 Ų3145.1 Ų45.119%0.1924%0.238CC..  trans-76.9165.9178.283.40000110.7G11 N229 L233 Y234 N236G11-T231 WeakPolarHBondContact CA-O 3.35Å; G11-T231 PolarHBondContact N-O 3.49Å; N229-T231 PolarHBondContact O-N 2.88Å; N229-T231 VanDerWaalsContact O-N 3.12Å; T231-L233 PolarHBondContact O-N 3.38Å; T231-L233 VanDerWaalsContact O-N 3.11Å; T231-L233 PolarHBondContact OG1-N 3.28Å; T231-Y234 WeakPolarHBondContact CA-O 3.47Å; T231-Y234 WeakPolarHBondContact CB-O 3.38Å; T231-Y234 HydrophobicContact CG2-CD2 4.36Å; T231-Y234 HydrophobicContact CG2-CE2 4.07Å; T231-Y234 PolarHBondContact N-O 3.21Å; T231-Y234 PolarHBondContact OG1-N 3.04Å; T231-Y234 PolarHBondContact OG1-O 3.49Å; T231-N236 HydrophobicContact CG2-CB 4.13Å
232P96.9Very high98.2Very high77 Ų7746.4 Ų46.450%0.524%0.243SC..SBendtrans-58.9-24.6177.6-26.936000115.2L4L4-P232 HydrophobicContact CD2-CB 3.59Å; L4-P232 HydrophobicContact CD2-CG 3.97Å
233L97.8Very high98.2Very high14 Ų1443.2 Ų43.27%0.07323%0.225CC..SBendtrans-118.5-13.5-171.8-59.5-179.4000114.1V2 M5 L8 G12 L42 H46 T231V2-L233 HydrophobicContact CB-CD1 3.46Å; V2-L233 VanDerWaalsContact CB-CD1 3.46Å; V2-L233 HydrophobicContact CG1-CD1 3.4Å; V2-L233 VanDerWaalsContact CG1-CD1 3.4Å; V2-L233 HydrophobicContact CG2-CD1 3.9Å; M5-L233 HydrophobicContact CB-CD2 4.45Å; M5-L233 HydrophobicContact CG-CD2 4.35Å; L8-L233 HydrophobicContact CD1-CD2 3.71Å; G12-L233 VanDerWaalsContact CA-O 3.26Å; G12-L233 WeakPolarHBondContact CA-O 3.33Å; L42-L233 HydrophobicContact CD1-CB 4.25Å; L42-L233 HydrophobicContact CD1-CD1 4.38Å; H46-L233 PolarHBondContact CE1-O 3.26Å; H46-L233 PolarHBondContact NE2-O 3.01Å; T231-L233 PolarHBondContact O-N 3.38Å; T231-L233 VanDerWaalsContact O-N 3.11Å; T231-L233 PolarHBondContact OG1-N 3.28Å
234Y98.4Very high98Very high47 Ų4747.2 Ų47.218%0.18425%0.249CC..  trans-166.4161.7179.655.4-87000111.2G11 L38 L42 I58 I60 T231 N236G11-Y234 VanDerWaalsContact C-C 3.42Å; G11-Y234 VanDerWaalsContact C-CA 3.46Å; G11-Y234 CarbonylContact O-C 3.48Å; G11-Y234 VanDerWaalsContact O-CA 3.24Å; G11-Y234 WeakPolarHBondContact O-CA 3.16Å; L38-Y234 HydrophobicContact CD2-CE1 4.35Å; L42-Y234 HydrophobicContact CD1-CD1 3.44Å; L42-Y234 VanDerWaalsContact CD1-CD1 3.44Å; L42-Y234 HydrophobicContact CD1-CE1 3.53Å; L42-Y234 HydrophobicContact CD2-CD1 3.99Å; L42-Y234 HydrophobicContact CG-CD1 4.37Å; I58-Y234 CarbonylContact O-C 3.54Å; I58-Y234 WeakPolarHBondContact O-CA 3.35Å; I58-Y234 WeakPolarHBondContact O-CB 3.48Å; I60-Y234 HydrophobicContact CB-CD2 3.66Å; I60-Y234 HydrophobicContact CB-CE2 3.94Å; I60-Y234 HydrophobicContact CB-CG 4.42Å; I60-Y234 HydrophobicContact CG1-CD1 4.24Å; I60-Y234 HydrophobicContact CG1-CD2 3.24Å; I60-Y234 HydrophobicContact CG1-CE2 3.76Å; I60-Y234 HydrophobicContact CG1-CG 3.51Å; I60-Y234 HydrophobicContact CG2-CE2 4.48Å; T231-Y234 WeakPolarHBondContact CA-O 3.47Å; T231-Y234 WeakPolarHBondContact CB-O 3.38Å; T231-Y234 HydrophobicContact CG2-CD2 4.36Å; T231-Y234 HydrophobicContact CG2-CE2 4.07Å; T231-Y234 PolarHBondContact N-O 3.21Å; T231-Y234 PolarHBondContact OG1-N 3.04Å; T231-Y234 PolarHBondContact OG1-O 3.49Å; Y234-N236 HydrophobicContact CD2-CB 4.07Å; Y234-N236 HydrophobicContact CE2-CB 3.74Å
235V98.7Very high97.9Very high0 Ų046.9 Ų46.90%025%0.254CS..EExtended strand (participates in β ladder)trans-82.4119.5164.3-171.50000108G11 I58 F59 I60 I85 L228 M230 V237G11-V235 PolarHBondContact O-N 3.03Å; I58-V235 PolarHBondContact O-N 2.86Å; F59-V235 WeakPolarHBondContact CA-O 3.31Å; F59-V235 HydrophobicContact CD1-CB 3.72Å; F59-V235 HydrophobicContact CD1-CG1 4.03Å; F59-V235 HydrophobicContact CD1-CG2 4.03Å; F59-V235 HydrophobicContact CE1-CB 3.98Å; F59-V235 HydrophobicContact CE1-CG1 4.18Å; F59-V235 HydrophobicContact CE1-CG2 3.8Å; F59-V235 HydrophobicContact CG-CB 4.38Å; F59-V235 HydrophobicContact CZ-CG2 4.25Å; I60-V235 PolarHBondContact N-O 2.7Å; I85-V235 HydrophobicContact CD1-CG1 3.86Å; I85-V235 HydrophobicContact CD1-CG2 3.97Å; L228-V235 HydrophobicContact CD1-CG1 4.45Å; L228-V235 HydrophobicContact CD2-CG1 3.89Å; L228-V235 HydrophobicContact CG-CG1 3.97Å; M230-V235 HydrophobicContact CE-CG2 4.27Å; M230-V235 HydrophobicContact SD-CB 4.35Å; M230-V235 HydrophobicContact SD-CG1 3.98Å; M230-V235 HydrophobicContact SD-CG2 3.66Å; V235-V237 HydrophobicContact CG1-CG2 4.02Å
236N98.6Very high97.7Very high19 Ų1944.3 Ų44.310%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-92.8124.4174-176.5-122000109.4E62 L228 N229 T231 Y234E62-N236 PolarHBondContact OE1-ND2 3.34Å; L228-N236 CarbonylContact C-O 3.32Å; L228-N236 VanDerWaalsContact CA-O 3.29Å; L228-N236 WeakPolarHBondContact CA-O 3.22Å; N229-N236 HydrophobicContact CB-CB 4.26Å; N229-N236 PolarHBondContact N-O 3.49Å; N229-N236 PolarHBondContact O-N 3.21Å; T231-N236 HydrophobicContact CG2-CB 4.13Å; Y234-N236 HydrophobicContact CD2-CB 4.07Å; Y234-N236 HydrophobicContact CE2-CB 3.74Å
237V98.8Very high97.6Very high0 Ų044.6 Ų44.60%024%0.237CC..EExtended strand (participates in β ladder)trans-122.9111.8-177.3178.60000107.6I60 V61 E62 E81 L225 L228 V235 V239I60-V237 PolarHBondContact O-N 2.75Å; V61-V237 CarbonylContact C-O 3.57Å; V61-V237 WeakPolarHBondContact CA-O 3.42Å; V61-V237 HydrophobicContact CG1-CB 4.37Å; V61-V237 HydrophobicContact CG1-CG1 4.17Å; V61-V237 HydrophobicContact CG2-CB 4.46Å; E62-V237 PolarHBondContact N-O 2.87Å; E81-V237 HydrophobicContact CB-CG1 4.4Å; E81-V237 HydrophobicContact CB-CG2 4.44Å; E81-V237 HydrophobicContact CG-CG1 3.92Å; L225-V237 HydrophobicContact CD1-CG1 3.84Å; L228-V237 HydrophobicContact CD1-CG2 4.48Å; L228-V237 HydrophobicContact CG-CG2 4.47Å; V235-V237 HydrophobicContact CG1-CG2 4.02Å; V237-V239 HydrophobicContact CG1-CG1 3.85Å
238V98.6Very high97.5Very high33 Ų3347.4 Ų47.420%0.225%0.249CC..EExtended strand (participates in β ladder)trans-110.9128.4178.7-172.90000109E62 L226 S227E62-V238 HydrophobicContact CB-CG2 4.47Å; E62-V238 WeakPolarHBondContact O-CA 3.38Å; L226-V238 HydrophobicContact CB-CG1 4.48Å; L226-V238 WeakPolarHBondContact CB-O 3.29Å; L226-V238 HydrophobicContact CD1-CG1 4.38Å; L226-V238 PolarHBondContact N-O 2.93Å; S227-V238 PolarHBondContact N-O 3.18Å; S227-V238 PolarHBondContact O-N 3.31Å; S227-V238 WeakPolarHBondContact OG-CB 3.49Å; S227-V238 WeakPolarHBondContact OG-CG2 3.39Å
239V98.8Very high97.3Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-137.6148-168.5-66.60000112.4V61 E62 P63 S64 L74 I77 Y223 E224 L225 V237 T241V61-V239 HydrophobicContact CG1-CG2 4.38Å; E62-V239 WeakPolarHBondContact O-CG2 3.22Å; E62-V239 PolarHBondContact O-N 3.14Å; P63-V239 CarbonylContact C-O 3.45Å; P63-V239 WeakPolarHBondContact CA-O 3.33Å; S64-V239 PolarHBondContact N-O 3.43Å; L74-V239 HydrophobicContact CD2-CG2 3.91Å; I77-V239 HydrophobicContact CD1-CG2 3.92Å; I77-V239 HydrophobicContact CG2-CG1 3.87Å; I77-V239 HydrophobicContact CG2-CG2 4.36Å; Y223-V239 HydrophobicContact CD2-CB 4.33Å; Y223-V239 HydrophobicContact CD2-CG1 3.93Å; Y223-V239 HydrophobicContact CE2-CG1 4.39Å; E224-V239 CarbonylContact O-C 3.5Å; E224-V239 VanDerWaalsContact O-CA 3.22Å; E224-V239 WeakPolarHBondContact O-CA 3.36Å; E224-V239 WeakPolarHBondContact O-CB 3.15Å; L225-V239 HydrophobicContact CD1-CG1 3.98Å; V237-V239 HydrophobicContact CG1-CG1 3.85Å; V239-T241 HydrophobicContact CG2-CG2 4.1Å
240N98.3Very high97.2Very high41 Ų4145 Ų4522%0.21923%0.233CC..EExtended strand (participates in β ladder)trans-91.9119.6163.2174.4-3.7000108.1E67 Y223 E224 L226 F242E67-N240 PolarHBondContact OE1-OD1 2.03Å; Y223-N240 VanDerWaalsContact CA-O 3.3Å; Y223-N240 WeakPolarHBondContact CA-O 3.37Å; Y223-N240 WeakPolarHBondContact CB-O 3.47Å; E224-N240 HydrophobicContact CB-CB 4.22Å; E224-N240 PolarHBondContact N-O 2.98Å; E224-N240 PolarHBondContact O-N 3.22Å; L226-N240 HydrophobicContact CD1-CB 4.17Å; L226-N240 HydrophobicContact CD2-CB 4.23Å; L226-N240 HydrophobicContact CG-CB 4.3Å; N240-F242 VanDerWaalsContact C-N 3.32Å; N240-F242 PolarHBondContact OD1-N 3.49Å
241T98.1Very high97.1Very high1 Ų146.2 Ų46.21%0.00624%0.236CC..  trans-89.54.9-175.471.20000113.5P63 E67 K73 L74 I77 W155 V239 E243 S246P63-T241 HydrophobicContact CB-CG2 4.24Å; E67-T241 WeakPolarHBondContact OE1-CA 3.09Å; E67-T241 WeakPolarHBondContact OE1-CB 3.02Å; E67-T241 PolarHBondContact OE1-N 3.21Å; E67-T241 PolarHBondContact OE1-OG1 3.25Å; E67-T241 PolarHBondContact OE2-N 2.98Å; E67-T241 PolarHBondContact OE2-OG1 3Å; K73-T241 PolarHBondContact NZ-O 3.32Å; L74-T241 HydrophobicContact CD2-CG2 4.09Å; I77-T241 HydrophobicContact CD1-CG2 4.17Å; W155-T241 VanDerWaalsContact CH2-OG1 3.26Å; W155-T241 WeakPolarHBondContact CH2-OG1 3.27Å; W155-T241 WeakPolarHBondContact CZ3-OG1 3.06Å; V239-T241 HydrophobicContact CG2-CG2 4.1Å; T241-E243 VanDerWaalsContact C-N 3.3Å; T241-E243 PolarHBondContact O-N 3.19Å; T241-S246 PolarHBondContact O-OG 3.34Å
242F97.3Very high97Very high62 Ų6251.5 Ų51.527%0.27226%0.258SS..  trans49.350.6-176.9-58.8-47.4000111.9E67 N222 E224 N240 N244 T245 S246E67-F242 PolarHBondContact OE1-N 2.99Å; E67-F242 VanDerWaalsContact OE1-N 3.15Å; N222-F242 WeakPolarHBondContact ND2-CD2 3.01Å; E224-F242 HydrophobicContact CB-CE1 4.4Å; E224-F242 HydrophobicContact CB-CE2 4.43Å; E224-F242 HydrophobicContact CB-CZ 3.82Å; N240-F242 VanDerWaalsContact C-N 3.32Å; N240-F242 PolarHBondContact OD1-N 3.49Å; F242-N244 VanDerWaalsContact C-N 3.34Å; F242-N244 PolarHBondContact O-N 3.49Å; F242-T245 PolarHBondContact O-N 2.8Å; F242-S246 WeakPolarHBondContact O-CB 3.45Å; F242-S246 PolarHBondContact O-N 2.9Å; F242-S246 PolarHBondContact O-OG 3.22Å
243E96.8Very high96.9Very high22 Ų2248.6 Ų48.610%0.10324%0.239CC..Hα-helixtrans-50-50.6-176.2174.9172.2-166.400112.9E67 T68 W155 T241 T245 S246 R247E67-E243 WeakPolarHBondContact CA-OE2 3.4Å; E67-E243 HydrophobicContact CB-CB 4.49Å; E67-E243 HydrophobicContact CG-CB 4.14Å; E67-E243 PolarHBondContact OE1-N 3.13Å; T68-E243 WeakPolarHBondContact CB-OE1 3.45Å; T68-E243 PolarHBondContact N-OE2 2.93Å; T68-E243 PolarHBondContact OG1-OE1 3.42Å; W155-E243 HydrophobicContact CD2-CG 4.07Å; W155-E243 HydrophobicContact CE3-CB 4.14Å; W155-E243 HydrophobicContact CE3-CG 3.65Å; W155-E243 VanDerWaalsContact CH2-CA 3.49Å; W155-E243 HydrophobicContact CH2-CB 3.81Å; W155-E243 HydrophobicContact CH2-CG 4.15Å; W155-E243 HydrophobicContact CZ2-CB 4.48Å; W155-E243 HydrophobicContact CZ3-CB 3.6Å; W155-E243 HydrophobicContact CZ3-CG 3.67Å; T241-E243 VanDerWaalsContact C-N 3.3Å; T241-E243 PolarHBondContact O-N 3.19Å; E243-T245 PolarHBondContact O-N 3.3Å; E243-S246 PolarHBondContact O-N 3.12Å; E243-R247 HydrophobicContact CG-CG 4.14Å; E243-R247 WeakPolarHBondContact O-CB 3.25Å; E243-R247 WeakPolarHBondContact O-CG 3.31Å; E243-R247 PolarHBondContact O-N 2.03Å; E243-R247 IonicContact OE1-CZ 3.31Å; E243-R247 IonicContact OE1-NE 2.68Å; E243-R247 PolarHBondContact OE1-NE 3.22Å; E243-R247 IonicContact OE1-NH2 2.64Å; E243-R247 PolarHBondContact OE1-NH2 2.98Å
244N95.5Very high96.7Very high126 Ų12649.7 Ų49.767%0.67425%0.247SC*.Hα-helixtrans-59.4-53-175.3-70.5-24.2000112F242 S246 R247 D248F242-N244 VanDerWaalsContact C-N 3.34Å; F242-N244 PolarHBondContact O-N 3.49Å; N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 3.28Å; N244-R247 PolarHBondContact O-N 3.15Å; N244-D248 PolarHBondContact O-N 2.93Å
245T95.8Very high96Very high88 Ų8853.9 Ų53.954%0.5427%0.266SS..Hα-helixtrans-60.4-43178.1-51.60000111.4F242 E243 R247 D248 E249F242-T245 PolarHBondContact O-N 2.8Å; E243-T245 PolarHBondContact O-N 3.3Å; T245-R247 PolarHBondContact O-N 2.96Å; T245-D248 PolarHBondContact O-N 2.89Å; T245-E249 PolarHBondContact O-N 2.98Å
246S95.3Very high94.4Very high15 Ų1558.6 Ų58.611%0.10530%0.299CS..Hα-helixtrans-65.6-38.1179.3-570000112.2K73 T241 F242 E243 N244 E249K73-S246 PolarHBondContact NZ-OG 3.15Å; T241-S246 PolarHBondContact O-OG 3.34Å; F242-S246 WeakPolarHBondContact O-CB 3.45Å; F242-S246 PolarHBondContact O-N 2.9Å; F242-S246 PolarHBondContact O-OG 3.22Å; E243-S246 PolarHBondContact O-N 3.12Å; N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 3.28Å; S246-E249 PolarHBondContact O-N 3.19Å
247R95.6Very high92.1Very high94 Ų9470.8 Ų70.836%0.35535%0.351SS..Hα-helixtrans-68.9-34.6176.2-77.9-178.8174.5-96.811.3112.3T68 W155 E243 N244 T245 E249 I250 K251T68-R247 PolarHBondContact OG1-NH2 2.96Å; W155-R247 VanDerWaalsContact CB-CZ 3.47Å; W155-R247 VanDerWaalsContact CB-NH2 3.32Å; W155-R247 HydrophobicContact CD2-CG 4.18Å; W155-R247 HydrophobicContact CG-CG 3.94Å; E243-R247 HydrophobicContact CG-CG 4.14Å; E243-R247 WeakPolarHBondContact O-CB 3.25Å; E243-R247 WeakPolarHBondContact O-CG 3.31Å; E243-R247 PolarHBondContact O-N 2.03Å; E243-R247 IonicContact OE1-CZ 3.31Å; E243-R247 IonicContact OE1-NE 2.68Å; E243-R247 PolarHBondContact OE1-NE 3.22Å; E243-R247 IonicContact OE1-NH2 2.64Å; E243-R247 PolarHBondContact OE1-NH2 2.98Å; N244-R247 PolarHBondContact O-N 3.15Å; T245-R247 PolarHBondContact O-N 2.96Å; R247-E249 VanDerWaalsContact C-N 3.26Å; R247-E249 PolarHBondContact O-N 2.72Å; R247-I250 WeakPolarHBondContact O-CG1 3.34Å; R247-I250 PolarHBondContact O-N 2.87Å; R247-K251 PolarHBondContact O-N 3.12Å
248D95.6Very high91.8Very high97 Ų9774.3 Ų74.352%0.51937%0.369SS..Hα-helixtrans-62.6-33.9177.9-81.8-31.9000112N244 T245 I250 K251N244-D248 PolarHBondContact O-N 2.93Å; T245-D248 PolarHBondContact O-N 2.89Å; D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.27Å; D248-K251 WeakPolarHBondContact O-CB 3.44Å; D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 IonicContact OD1-NZ 2.7Å
249E94.9Very high91.4Very high89 Ų8976.5 Ų76.542%0.41638%0.377SS..Hα-helixtrans-59.7-33.7175.7-64.6-175.1-171.500113.6R212 T245 S246 R247 H252R212-E249 IonicContact NH2-OE2 3.93Å; T245-E249 PolarHBondContact O-N 2.98Å; S246-E249 PolarHBondContact O-N 3.19Å; R247-E249 VanDerWaalsContact C-N 3.26Å; R247-E249 PolarHBondContact O-N 2.72Å; E249-H252 PolarHBondContact O-CE1 2.77Å; E249-H252 VanDerWaalsContact O-CE1 3.22Å; E249-H252 PolarHBondContact O-ND1 3.37Å
250I95.9Very high91Very high5 Ų580.7 Ų80.73%0.02640%0.398CS..Hα-helixtrans-105.84-177.162.4174.6000113D153 L205 R247 D248 H252 I253 C254D153-I250 HydrophobicContact CB-CD1 3.99Å; D153-I250 HydrophobicContact CB-CG2 4.03Å; D153-I250 VanDerWaalsContact O-CD1 3.25Å; D153-I250 WeakPolarHBondContact O-CD1 3.09Å; L205-I250 HydrophobicContact CD2-CB 4.41Å; L205-I250 HydrophobicContact CD2-CD1 4.28Å; L205-I250 HydrophobicContact CD2-CG2 4.37Å; R247-I250 WeakPolarHBondContact O-CG1 3.34Å; R247-I250 PolarHBondContact O-N 2.87Å; D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.27Å; I250-H252 PolarHBondContact O-N 2.9Å; I250-H252 VanDerWaalsContact O-N 3.15Å; I250-I253 WeakPolarHBondContact O-CA 3.17Å; I250-I253 WeakPolarHBondContact O-CB 3.28Å; I250-I253 PolarHBondContact O-N 3.1Å; I250-C254 PolarHBondContact O-N 3.3Å
251K95.4Very high90.6Very high109 Ų10983.1 Ų83.147%0.47441%0.409SS..Hα-helixtrans-55.6-37.6-175.9-170.4176.4-169.5164.80112.8R247 D248 I253 C254 K255R247-K251 PolarHBondContact O-N 3.12Å; D248-K251 WeakPolarHBondContact O-CB 3.44Å; D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 IonicContact OD1-NZ 2.7Å; K251-I253 VanDerWaalsContact C-N 3.26Å; K251-I253 PolarHBondContact O-N 2.86Å; K251-C254 PolarHBondContact O-N 2.86Å; K251-K255 HydrophobicContact CG-CG 4.32Å; K251-K255 VanDerWaalsContact O-CG 3.25Å; K251-K255 WeakPolarHBondContact O-CG 3.36Å; K251-K255 PolarHBondContact O-N 3.35Å
252H94.9Very high90.1Very high142 Ų14288.2 Ų88.266%0.65743%0.434SS*.Hα-helixtrans-67.6-22.2176.967.5-79.2000114E249 I250E249-H252 PolarHBondContact O-CE1 2.77Å; E249-H252 VanDerWaalsContact O-CE1 3.22Å; E249-H252 PolarHBondContact O-ND1 3.37Å; I250-H252 PolarHBondContact O-N 2.9Å; I250-H252 VanDerWaalsContact O-N 3.15Å
253I96Very high89.6Confident17 Ų1789.9 Ų89.99%0.08745%0.445CS..Hα-helixtrans-86.9-36.9173.5-57169.8000109.9R204 L205 K208 R212 I250 K251R204-I253 HydrophobicContact CB-CG2 3.9Å; R204-I253 VanDerWaalsContact CD-O 3.28Å; R204-I253 WeakPolarHBondContact CD-O 3.4Å; R204-I253 PolarHBondContact NE-O 3Å; L205-I253 HydrophobicContact CD2-CG2 4.19Å; K208-I253 HydrophobicContact CB-CD1 4.27Å; K208-I253 HydrophobicContact CG-CD1 4.27Å; K208-I253 HydrophobicContact CG-CG1 4.44Å; K208-I253 HydrophobicContact CG-CG2 4.11Å; R212-I253 HydrophobicContact CG-CD1 4.15Å; I250-I253 WeakPolarHBondContact O-CA 3.17Å; I250-I253 WeakPolarHBondContact O-CB 3.28Å; I250-I253 PolarHBondContact O-N 3.1Å; K251-I253 VanDerWaalsContact C-N 3.26Å; K251-I253 PolarHBondContact O-N 2.86Å
254C94.3Very high89.1Confident36 Ų3694.8 Ų94.824%0.24347%0.469CS..Hα-helixtrans-94.3-11.4-171.1-640000115.7C201 R204 I250 K251 S256C201-C254 HydrophobicContact CB-CB 3.71Å; C201-C254 WeakPolarHBondContact CB-SG 3.25Å; C201-C254 WeakPolarHBondContact SG-CA 3.4Å; C201-C254 WeakPolarHBondContact SG-CB 3.39Å; C201-C254 CovalentContact SG-SG 2.03Å; C201-C254 PolarHBondContact SG-SG 3.27Å; R204-C254 PolarHBondContact NH2-O 2.9Å; I250-C254 PolarHBondContact O-N 3.3Å; K251-C254 PolarHBondContact O-N 2.86Å; C254-S256 PolarHBondContact O-N 3.44Å
255K83.8Confident88.6Confident135 Ų13592.4 Ų92.459%0.58745%0.454SS*.SBendtrans-54.7128167.4-82.8174.7-176.9-170.60109.6K251K251-K255 HydrophobicContact CG-CG 4.32Å; K251-K255 VanDerWaalsContact O-CG 3.25Å; K251-K255 WeakPolarHBondContact O-CG 3.36Å; K251-K255 PolarHBondContact O-N 3.35Å
256S63.9Low88Confident99 Ų9992.8 Ų92.869%0.69245%0.446SS*.  trans-59.6137.3163.853.40000108.2C254C254-S256 PolarHBondContact O-N 3.44Å
257K50.8Low87.4Confident275 Ų27599.8 Ų99.8100%1.19648%0.477SS*.  trans-66.40158.3-79.4-171.3176.1-176.70109

Retrieved 257 of 257 residues in 869.2 ms (Link to these results)

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